Formamide

Athanor · official

CH₃NO · 45.041 g/mol

Also called methanamide, denaturant, sequencing loading buffer

Reagents Solvents

Open in Athanor

Drawn from its SMILES with RDKit

Danger

Names and identifiers

IUPAC name: formamide
Synonyms: methanamide, denaturant, sequencing loading buffer
+ 37 more
Methanamide, carbamaldehyde, Formimidic acid, Formic acid, amide, Methanoic acid, amide, DTXSID8025337, Amid kyseliny mravenci, NSC-748, 4781T907ZS, DTXCID805337, CHEBI:16397, CHEBI:48431, RefChem:5841, 200-842-0, Methanimidic acid, formamid, Amid kyseliny mravenci [Czech], Formic amide, NSC 748, Methanamide;Formimidic acid, MFCD00007941, Formamide (deionizde), AI3-15357, HCONH2, Carbamaldehyde, Methanamide, Formamide-13C-15N (9CI), FORMAMIDE, ULTRA PURE, CAS-75-12-7, HSDB 88, Amide C1, CCRIS 6240, EINECS 200-842-0, Formamide, puriss. p.a., ACS reagent, >=99.5% (GC/T), Methanamid, an amide, imidoformic acid, Ameisensaeureamid
Molecular formula: CH₃NO
Empirical formula: CH₃NO
Molecular weight: 45.041 g/mol
Exact mass: 45.02146
CAS number: 75-12-7
PubChem CID: 713
Canonical SMILES: C(=O)N
Isomeric SMILES: C(=O)N
InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
InChIKey: ZHNUHDYFZUAESO-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Oily liquid[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Formamide appears as a colorless liquid with a faint odor of ammonia. Denser than water. Freezing point 36 °F. (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS HYGROSCOPIC VISCOUS LIQUID. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless, oily liquid with a light ammonia-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless, oily liquid. [Note: A solid below 37 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Oily liquid [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 148
Odor: Faint ammonia odor[6]
Melting point: 2.5 °C (36.5 °F, NTP 1992)[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
2.5 °Cshown 36.5 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
2.5 °C 2.5 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
3 °C 37 °F [4] Occupational Safety and Health Administration (OSHA)
2.5 °C 2.5 °C [7] PAC Chemical Database, U.S. Department of Energy
3 °C 37 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 210 °C (410 °F) at 760 mmHg (decomposes) (NTP, 1992)[1]
5 values
3 of 5 sources agree on it (most common value).
Value As written Source
210 °Cshown 410 °F at 760 mmHg (decomposes) (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
200 to 212 °C BP: 200-212 °C with partial decomposition beginning approximately 180 °C [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 515
211 °C 411 °F (decomposes) [4] Occupational Safety and Health Administration (OSHA)
220 °C 220 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
211 °C 411 °F (Decomposes) [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 1.1334 at 20 °C (68 °F) (USCG, 1999) - Denser than water[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
–shown 1.1334 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Relative density (water = 1): 1.13 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.13 [4] Occupational Safety and Health Administration (OSHA)
– 1.134 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.13 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water: miscible[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– Insoluble in ethanol; very soluble in ethyl ether; miscible in chloroform, petroleum ether. [6] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3 2809
– In water, 1.0X10+6 mg/l @ 25 °C. [6] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V11 (1980) 258-63
–shown Solubility in water: miscible [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Miscible [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: -1.51[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow= -1.51 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 3
–shown -1.51 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: Reported, but no value passed the checks.
The value and why
pKa = - 0.48 @ 20 °C (could not be read; source [6])
Vapor pressure: 6.10 × 10⁻² mmHg @ 25 °C[6]
6 values
3 of 5 sources agree on it (most common value).
Value As written Source
3 mmHg 3 mmHg at 86 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
760 mmHg 760 mmHg at 410.9 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
0.061 mmHgshown 6.10X10-2 mm Hg @ 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
0.06 mmHg Vapor pressure, Pa at 20 °C: 8 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
3 mmHg 3 mmHg at 86 °F, 760 mmHg at 410.9 °F [4] Occupational Safety and Health Administration (OSHA)
0.061 mmHg 0.061 [mm Hg] @25 °C [7] PAC Chemical Database, U.S. Department of Energy
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Flash point: 154 °C (310 °F, OPEN CUP)[6]
4 values
3 of 4 sources agree on it (most common value).
Value As written Source
154 °C 310 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
154 °Cshown 310 °F (OPEN CUP) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-55
120 °C 120 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
154 °C 310 °F (open-cup) [4] Occupational Safety and Health Administration (OSHA)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Autoignition temperature: 154 °C (310 °F, USCG 1999)[1]
2 values
Only one source reports it.
Value As written Source
154 °Cshown 310 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
> 500 °C >500 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Formamide appears as a colorless liquid with a faint odor of ammonia. Denser than water. Freezing point 36 °F. (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS HYGROSCOPIC VISCOUS LIQUID.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless, oily liquid with a light ammonia-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless, oily liquid. [Note: A solid below 37 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Oily liquid	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 148

Value	As written	Source
2.5 °Cshown	36.5 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
2.5 °C	2.5 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
3 °C	37 °F	[4] Occupational Safety and Health Administration (OSHA)
2.5 °C	2.5 °C	[7] PAC Chemical Database, U.S. Department of Energy
3 °C	37 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
210 °Cshown	410 °F at 760 mmHg (decomposes) (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
200 to 212 °C	BP: 200-212 °C with partial decomposition beginning approximately 180 °C	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 515
211 °C	411 °F (decomposes)	[4] Occupational Safety and Health Administration (OSHA)
220 °C	220 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
211 °C	411 °F (Decomposes)	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–shown	1.1334 at 68 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Relative density (water = 1): 1.13	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.13	[4] Occupational Safety and Health Administration (OSHA)
–	1.134 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.13	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	Insoluble in ethanol; very soluble in ethyl ether; miscible in chloroform, petroleum ether.	[6] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3 2809
–	In water, 1.0X10+6 mg/l @ 25 °C.	[6] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V11 (1980) 258-63
–shown	Solubility in water: miscible	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Miscible	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow= -1.51	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 3
–shown	-1.51	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
3 mmHg	3 mmHg at 86 °F	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
760 mmHg	760 mmHg at 410.9 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
0.061 mmHgshown	6.10X10-2 mm Hg @ 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
0.06 mmHg	Vapor pressure, Pa at 20 °C: 8	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
3 mmHg	3 mmHg at 86 °F, 760 mmHg at 410.9 °F	[4] Occupational Safety and Health Administration (OSHA)
0.061 mmHg	0.061 [mm Hg] @25 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
154 °C	310 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
154 °Cshown	310 °F (OPEN CUP)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-55
120 °C	120 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
154 °C	310 °F (open-cup)	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
154 °Cshown	310 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
> 500 °C	>500 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 3
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 1
H-bond acceptors: 1
Rotatable bonds: 0
TPSA (Å²): 43.1
Formal charge: 0
XLogP3: -0.8 PubChem
Complexity: 12 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C26.67%
H6.71%
N31.10%
O35.52%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -0.9 Crippen (Wildman and Crippen 1999)
log S (water solubility): 0.45 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.55 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 45.04
log P ≤ 5 (Crippen): -0.9
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 1

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Health hazard

NFPA 704[6]

Precautionary statements: P203, P280, P318, P405, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerNo hazard statements
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.3% (1 of 388) of reports.
[9] European Chemicals Agency (ECHA) · 388 reports · DangerH351, H360, H360D, H373

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 20 ppm (30 mg/m3)[4]
PEL-STEL (Short Term Exposure Limit): 30 ppm (45 mg/m3)[4]
PEL: None See Appendix G[5]
REL-TWA (Time Weighted Average): 10 ppm (15 mg/m³)[4]
REL: TWA 10 ppm (15 mg/m3) [skin][5]
TLV: 1 ppm as TWA; (skin); A3 (confirmed animal carcinogen with unknown relevance to humans).[3]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Water wash - If this chemical contacts the skin, wash the contaminated skin with water. Breathing: Respiratory support Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.[5]
Fresh air, rest. Refer for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower.[3]

Storage

Separated from oxidants, acids and bases. Dry.[3]
For storage ... Tanks of stainless steel or aluminum are indicated. When small amounts of iron are permissible, mild steel can be used for tank cars and drums. Caffeine, adenine and other purines stabilize formamide in storage ...[6]

Incompatibilities

Incompatible with iodine, pyridine and sulfur trioxide.[6]
Bottles containing a modified Karl Fischer reagent with formamide replacing methanol developed gas pressure during several months and burst. No reason was apparent, but slow absorption of moisture, formation of sulfuric acid and liberation of carbon monoxide from the formamide seems a likely sequence.[6]
A mixture containing 51% of calcium nitrate and 12% ammonium nitrate with 27% formamide and 10% water is detonable @ -20 °C.[6]
Oxidizers, iodine pyridine, sulfur, trioxide, copper, brass, lead [Note: Hygroscopic (i.e., absorbs moisture from the air)].[6]

Safety data sheets on the supplier’s page: CATO Research Chemicals Inc., A2B Chem, LGC Standards.

Always read the supplier’s safety data sheet before working with it.

Spectra

NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
1H NMRSpectraBase
13C NMRSpectraBase
15N NMRSpectraBase
17O NMRSpectraBase
1H-1H NMRHuman Metabolome Database (HMDB)
GC-MSNIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · SpectraBase
Other MSHazardous Substances Data Bank (HSDB)
UVHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (DIGILAB FTS-40 · NEAT)
ATR-IRSpectraBase (ATR-Neat)
Near IRSpectraBase (BRUKER IFS 88 · NIR)
Vapor Phase IRSpectraBase (Bruker IFS 85 · Gas-GC)
RamanSpectraBase

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[11]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[13]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.