Acetamide
Athanor · official
C2H5NO · 59.07 g/mol
Also called ethanamide, acetic acid amide
WarningSuspected of causing cancerNames and identifiers
- IUPAC name
- acetamide
- Synonyms
- ethanamide, acetic acid amide, Ethanamide
+ 37 more
Acetic acid amide, Methanecarboxamide, Acetimidic acid, Ethanimidic acid, Amid kyseliny octove, NCI-C02108, CH3CONH2, DTXSID7020005, AI3-02060, 8XOE1JSO29, NSC 25945, NSC-25945, DTXCID505, FEMA NO. 4251, CHEBI:27856, CHEBI:49028, acetamido, RefChem:108791, 200-473-5, Amide C2, Caswell No. 003H, Acetimidic acid (VAN), CCRIS 2, HSDB 4006, MFCD00008023, acetoamide, Acetamides, Amid kyseliny octove [Czech], EINECS 200-473-5, UNII-8XOE1JSO29, BRN 1071207, n-acetylamine, imidoacetic acid, Acetamide, Purified, methane, carbamoyl-, Acetamide, >=98%, ACETAMIDE [MI]
- Molecular formula
- C2H5NO
- Empirical formula
- C2H5NO
- Molecular weight
- 59.07 g/mol
- Exact mass
- 59.03711
- CAS number
- 60-35-5
- PubChem CID
- 178
- Canonical SMILES
- CC(=O)N
- Isomeric SMILES
- CC(=O)N
- InChI
- InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
- InChIKey
- DLFVBJFMPXGRIB-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
TemperaturePressureDensity
- Appearance
- Acetamide appears as colorless crystals with a mousy odor (NTP, 1999). Low toxicity.[1]
3 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source –shown Acetamide appears as colorless crystals with a mousy odor (NTP, 1999). Low toxicity. [1] CAMEO Chemicals – COLOURLESS DELIQUESCENT CRYSTALS. [2] ILO-WHO International Chemical Safety Cards (ICSCs) – Colorless crystals [3] Occupational Safety and Health Administration (OSHA) - Melting point
- 81 °C[2]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source 82.3 °C 180.1 °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. 81 °Cshown 81 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs) 82.3 °C 180.1 °F [3] Occupational Safety and Health Administration (OSHA) 80 °C 80 °C [5] PAC Chemical Database, U.S. Department of Energy - Boiling point
- 222 °C[2]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source 221 °C 430 °F at 760 mmHg (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. 222 °Cshown 222 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs) 221 °C 430 °F [3] Occupational Safety and Health Administration (OSHA) 221 °C 221 °C @760 [mm Hg] [5] PAC Chemical Database, U.S. Department of Energy - Density
- 1.159 @ 20°C[5]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source – 1.159 at 68 °F (NTP, 1992) - Denser than water [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. – 1.16 g/cm³ [2] ILO-WHO International Chemical Safety Cards (ICSCs) – 1.159 [3] Occupational Safety and Health Administration (OSHA) –shown 1.159 @ 20°C [5] PAC Chemical Database, U.S. Department of Energy - Solubility in water
- Solubility in water, g/100ml: 200[2]
4 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source – Very soluble (greater than or equal to 100 mg/mL at 72 °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. – In water, 7.05X10+5 mg/L at 24.5 °C [4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 35 – Slightly soluble in ether [4] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 6 –shown Solubility in water, g/100ml: 200 [2] ILO-WHO International Chemical Safety Cards (ICSCs) - log P
- -1.26[2]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source – log Kow = -1.26 [4] 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. 4 –shown -1.26 [2] ILO-WHO International Chemical Safety Cards (ICSCs) - Vapor pressure
- Vapor pressure, Pa at 65 °C: 133[2]
5 values
4 of 5 sources agree on it (most common value).
Value As written Source 1 mmHg 1 mmHg at 149 °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. 0.0182 mmHg 0.0182 mm Hg at 25 °C /OECD Guideline 104 (Vapor Pressure Curve)/ [4] Hazardous Substances Data Bank (HSDB)cites ECHA; Search for Chemicals. Acetamide (CAS 60-35-5) Registered Substances Dossier. European Chemical Agency. Available from, as of August 8, 2016: https://echa.europa.eu/ 1 mmHgshown Vapor pressure, Pa at 65 °C: 133 [2] ILO-WHO International Chemical Safety Cards (ICSCs) 1 mmHg 1 mmHg at 149 °F [3] Occupational Safety and Health Administration (OSHA) 1 mmHg 1 [mm Hg] @60 °C [5] PAC Chemical Database, U.S. Department of Energy - Viscosity
- Reported, but no value passed the checks.
The 3 values and why
- 2.182 centipose (91.1 °C) (could not be read; source [4])
- 1.461 centipose (111.8 °C) (could not be read; source [4])
- 1.056 centipose (131.7 °C) (could not be read; source [4])
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
- 4
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.5
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- TPSA (Ų)
- 43.1
- Formal charge
- 0
- XLogP3
- -0.9 PubChem
- Complexity
- 33 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C40.67%
- H8.53%
- N23.71%
- O27.09%
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
- -0.51 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.11 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 1.83 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 59.07
- log P ≤ 5 (Crippen): -0.51
- 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
Warning
Harmonized EU classification (CLP Annex VI). Source [6].
- Health hazard
- H351Suspected of causing cancer
Precautionary statements: P203, P280, P318, P405, P501
View all classifications (3)
- [6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH351
- [7] European Chemicals Agency (ECHA) · 520 reports · WarningH351
- [4] Hazardous Substances Data Bank (HSDB) · WarningH351
Exposure limits
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]
- Fresh air, rest.[2]
- Remove contaminated clothes. Rinse skin with plenty of water or shower.[2]
- First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.[2]
Storage
- Dry. Well closed.[2]
- Keep container tightly closed in a dry and well-ventilated place. Moisture sensitive.[4]
- Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.[4]
- Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.[4]
Incompatibilities
- Incompatible materials: Strong oxidizing agents, strong acids, strong bases, strong reducing agents.[4]
- Reacts with strong acids, such as hydrochloric, sulfuric, and nitric; strong oxidizers; strong bases; strong reducing agents; ammonia, isocyanates, phenols, cresols. Contact with water causes slow hydrolyzation to ammonia and acetate salts.[4]
Safety data sheets on the supplier’s page: AbaChemScene, Finetech Industry Limited, Enamine.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (JEOL · 90 MHz · D2O) · SpectraBase (BRUKER AC-300)
- 13C NMRHuman Metabolome Database (HMDB) (50.18 MHz · D2O) · SpectraBase
- 15N NMRSpectraBase
- 17O NMRSpectraBase
- GC-MSHuman Metabolome Database (HMDB) (EI-B · positive) · MassBank of North America (MoNA) (HITACHI RMU-7M · EI-B · positive) · MassBank of North America (MoNA) (HITACHI RMU-7M · EI-B · positive) · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center · NIST Mass Spectrometry Data Center
- MS-MSHuman Metabolome Database (HMDB) (QqQ · positive) · Human Metabolome Database (HMDB) (QqQ · positive) · Human Metabolome Database (HMDB) (QqQ · positive) · Human Metabolome Database (HMDB) (QqQ · positive) · Human Metabolome Database (HMDB) (QqQ · positive) · Human Metabolome Database (HMDB) (QqQ · positive)
- LC-MSMassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · POSITIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · POSITIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · POSITIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · POSITIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · POSITIVE) · MassBank Europe (Thermo Scientific Q-Exactive Focus · LC-ESI-ITFT · POSITIVE)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (HITACHI RMU-7M · EI-B · POSITIVE)
- UVHazardous Substances Data Bank (HSDB)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (FILM (CAST FROM o-DICHLOROBENZENE))
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat (DuraSamplIR II))
- Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
- RamanSpectraBase (Thermo Nicolet FT-Raman 960 · FT-Raman)
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]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [3]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
- [4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [6]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
- [7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [8]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [9]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [10]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [11]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [13]MassBank Europe · 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.