Cyanamide

Athanor · official

CH₂N₂ · 42.04 g/mol

Also called carbamonitrile, carbodiimide tautomer

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerToxic if swallowed · Toxic in contact with skin · Causes severe skin burns and eye damage · May cause an allergic skin reaction · Causes serious eye damage · Suspected of causing cancer · Suspected of damaging fertility; Suspected of damaging the unborn child · May causes damage to organs through prolonged or repeated exposure · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name: cyanamide
Synonyms: carbamonitrile, carbodiimide tautomer, Hydrogen cyanamide
+ 36 more
Amidocyanogen, Carbamonitrile, Cyanoamine, aminoformonitrile, Cyanogenamide, Alzogur, Cyanogen nitride, N-Cyanoamine, TsAKS, NH2CN, USAF EK-1995, NSC 24133, Carbodiamide, DTXSID9034490, NSC-24133, 21CP7826LC, DTXCID7014490, CHEBI:16698, Aminonitrile, RefChem:580104, Calcium Cyanamide, Citrated, Cyanamide, Citrated Calcium, 206-992-3, Deurbraak, H2NCN, Cyanamide [JAN], Cyanamide aq, H2N-C#N, MFCD00007572, NCGC00164378-01, Caswell No. 485A, CH2N2, CAS-420-04-2, HSDB 1550, EINECS 206-992-3, EPA Pesticide Chemical Code 014002
Molecular formula: CH₂N₂
Empirical formula: CH₂N₂
Molecular weight: 42.04 g/mol
Exact mass: 42.02180
CAS number: 420-04-2
PubChem CID: 9864
Canonical SMILES: C(#N)N
Isomeric SMILES: C(#N)N
InChI: InChI=1S/CH2N2/c2-1-3/h2H2
InChIKey: XZMCDFZZKTWFGF-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Deliquescent crystals[6]
8 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Cyanamide appears as colorless deliquescent crystals. Mp: 45 °C; bp: 260 °C. Density: 1.282 g cm-3. Quite soluble in water (77 g / 100 g solution at 15 °C). Soluble in butanol, methyl ethyl ketone, ethyl acetate, alcohols, phenols, amines, ethers. Note: The term "cyanamide" is also used to refer to the important compound calcium cyanamide, which is a different chemical. [1] CAMEO Chemicals
– Dry Powder [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS HYGROSCOPIC DELIQUESCENT CRYSTALS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Crystalline solid. [4] Occupational Safety and Health Administration (OSHA)
– Crystalline solid. [5] The National Institute for Occupational Safety and Health (NIOSH)
– Crystallizes from a variety of solvents as somewhat unstable, colorless, orthorhombic, deliquescent crystals. [6] Hazardous Substances Data Bank (HSDB)cites Cameron W; Kirk-Othmer Encyclopedia of Chemical Technology. (2001). New York, NY: John Wiley & Sons; Cyanamides. Online Posting Date: April 16, 2001
–shown Deliquescent crystals [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 354
– Cyanamide forms colorless, orthorhombic crystals or long transparent needles (from water), large platelike crystals when allowed to crystallize spontaneously from water, and crystals from dimethyl phthalate solution. [6] Hazardous Substances Data Bank (HSDB)cites Gunther T, Mertschenk B; Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (2008). New York, NY: John Wiley & Sons; Cyanamides. Online Posting Date: July 15, 2006
Melting point: 45 °C (113 °F, NIOSH 2024)[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
45 °Cshown 113 °F (NIOSH, 2024) [1] CAMEO Chemicals
44 °C 44 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
45 °C 113 °F [4] Occupational Safety and Health Administration (OSHA)
45.6 °C 45.56 °C [7] PAC Chemical Database, U.S. Department of Energy
45 °C 113 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 260 °C (500 °F) at 760 mmHg (Decomposes) (NIOSH, 2024)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
260 °Cshown 500 °F at 760 mmHg (Decomposes) (NIOSH, 2024) [1] CAMEO Chemicals
260 °C 500 °F (decomposes) [4] Occupational Safety and Health Administration (OSHA)
260 °C 500 °F (Decomposes) [5] The National Institute for Occupational Safety and Health (NIOSH)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Density: 1.282 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 1.28 (NIOSH, 2024) - Denser than water [1] CAMEO Chemicals
– Relative density (water = 1): 1.28 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.28 [4] Occupational Safety and Health Administration (OSHA)
–shown 1.282 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.28 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 25 °C: 85[3]
7 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 78 % at 59 °F (NIOSH, 2024) [1] CAMEO Chemicals
– Slightly soluble in carbon disulfide [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: 2133
– Cyanamide is completely soluble in water at 43 °C and has a minimum solubility at -15 °C; highly soluble in polar organic solvents, such as alcohols, ethers, esters, nitriles and amides, but less soluble in nonpolar solvents like saturated, halogenated, or aromatic hydrocarbons. Ketones are not recommended as solvents for cyanamide, because they tend to react under certain circumstances. [6] Hazardous Substances Data Bank (HSDB)cites Gunther T, Mertschenk B; Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (2008). New York, NY: John Wiley & Sons; Cyanamides. Online Posting Date: July 15, 2006
– In chloroform 2.4 g/kg, 20 °C [6] Hazardous Substances Data Bank (HSDB)cites Tomlin CDS, ed. Cyanamide (420-04-2). In: The e-Pesticide Manual, 13th Edition Version 3.1 (2004-05). Surrey UK, British Crop Protection Council
– For more Solubility (Complete) data for Cyanamide (7 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water, g/100ml at 25 °C: 85 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– (59 °F): 78% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: log Kow = -0.82 (20 °C)[6]
pKa: pKa = 10.3[6]
Vapor pressure: 3.75 × 10⁻³ mmHg at 20 °C[6]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
0.00375 mmHgshown 3.75X10-3 mm Hg at 20 °C [6] Hazardous Substances Data Bank (HSDB)cites Tomlin CDS, ed. Cyanamide (420-04-2). In: The e-Pesticide Manual, 13th Edition Version 3.1 (2004-05). Surrey UK, British Crop Protection Council
0.0038 mmHg Vapor pressure, Pa at 20 °C: 0.5 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Flash point: 141 °C[3]
6 values
5 of 5 sources agree on it (most common value).
Value As written Source
141 °C 286 °F (NIOSH, 2024) [1] CAMEO Chemicals
141 °C 286 °F [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-33
141 °C 141 °C (closed cup) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-33
141 °Cshown 141 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
141 °C 286 °F [4] Occupational Safety and Health Administration (OSHA)
141 °C 286 °F [5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	Cyanamide appears as colorless deliquescent crystals. Mp: 45 °C; bp: 260 °C. Density: 1.282 g cm-3. Quite soluble in water (77 g / 100 g solution at 15 °C). Soluble in butanol, methyl ethyl ketone, ethyl acetate, alcohols, phenols, amines, ethers. Note: The term "cyanamide" is also used to refer to the important compound calcium cyanamide, which is a different chemical.	[1] CAMEO Chemicals
–	Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS HYGROSCOPIC DELIQUESCENT CRYSTALS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Crystalline solid.	[4] Occupational Safety and Health Administration (OSHA)
–	Crystalline solid.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–	Crystallizes from a variety of solvents as somewhat unstable, colorless, orthorhombic, deliquescent crystals.	[6] Hazardous Substances Data Bank (HSDB)cites Cameron W; Kirk-Othmer Encyclopedia of Chemical Technology. (2001). New York, NY: John Wiley & Sons; Cyanamides. Online Posting Date: April 16, 2001
–shown	Deliquescent crystals	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 354
–	Cyanamide forms colorless, orthorhombic crystals or long transparent needles (from water), large platelike crystals when allowed to crystallize spontaneously from water, and crystals from dimethyl phthalate solution.	[6] Hazardous Substances Data Bank (HSDB)cites Gunther T, Mertschenk B; Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (2008). New York, NY: John Wiley & Sons; Cyanamides. Online Posting Date: July 15, 2006

Value	As written	Source
45 °Cshown	113 °F (NIOSH, 2024)	[1] CAMEO Chemicals
44 °C	44 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
45 °C	113 °F	[4] Occupational Safety and Health Administration (OSHA)
45.6 °C	45.56 °C	[7] PAC Chemical Database, U.S. Department of Energy
45 °C	113 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
260 °Cshown	500 °F at 760 mmHg (Decomposes) (NIOSH, 2024)	[1] CAMEO Chemicals
260 °C	500 °F (decomposes)	[4] Occupational Safety and Health Administration (OSHA)
260 °C	500 °F (Decomposes)	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.28 (NIOSH, 2024) - Denser than water	[1] CAMEO Chemicals
–	Relative density (water = 1): 1.28	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.28	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.282 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.28	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	78 % at 59 °F (NIOSH, 2024)	[1] CAMEO Chemicals
–	Slightly soluble in carbon disulfide	[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: 2133
–	Cyanamide is completely soluble in water at 43 °C and has a minimum solubility at -15 °C; highly soluble in polar organic solvents, such as alcohols, ethers, esters, nitriles and amides, but less soluble in nonpolar solvents like saturated, halogenated, or aromatic hydrocarbons. Ketones are not recommended as solvents for cyanamide, because they tend to react under certain circumstances.	[6] Hazardous Substances Data Bank (HSDB)cites Gunther T, Mertschenk B; Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (2008). New York, NY: John Wiley & Sons; Cyanamides. Online Posting Date: July 15, 2006
–	In chloroform 2.4 g/kg, 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites Tomlin CDS, ed. Cyanamide (420-04-2). In: The e-Pesticide Manual, 13th Edition Version 3.1 (2004-05). Surrey UK, British Crop Protection Council
–	For more Solubility (Complete) data for Cyanamide (7 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water, g/100ml at 25 °C: 85	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	(59 °F): 78%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
0.00375 mmHgshown	3.75X10-3 mm Hg at 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites Tomlin CDS, ed. Cyanamide (420-04-2). In: The e-Pesticide Manual, 13th Edition Version 3.1 (2004-05). Surrey UK, British Crop Protection Council
0.0038 mmHg	Vapor pressure, Pa at 20 °C: 0.5	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
141 °C	286 °F (NIOSH, 2024)	[1] CAMEO Chemicals
141 °C	286 °F	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-33
141 °C	141 °C (closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-33
141 °Cshown	141 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
141 °C	286 °F	[4] Occupational Safety and Health Administration (OSHA)
141 °C	286 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

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: 2
Rotatable bonds: 0
TPSA (Å²): 49.8
Formal charge: 0
XLogP3: -0.3 PubChem
Complexity: 29 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

C28.57%
H4.80%
N66.63%

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: -0.57 Crippen (Wildman and Crippen 1999)
log S (water solubility): 0.26 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.67 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 42.04
log P ≤ 5 (Crippen): -0.57
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 2

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].

Corrosive
Acute toxicity
Health hazard

NFPA 704[6]

H301Toxic if swallowed
H311Toxic in contact with skin
H314Causes severe skin burns and eye damage
H317May cause an allergic skin reaction
H318Causes serious eye damage
H351Suspected of causing cancer
H361fdSuspected of damaging fertility; Suspected of damaging the unborn child
H373May causes damage to organs through prolonged or repeated exposure
H412Harmful to aquatic life with long lasting effects

Precautionary statements: P203, P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, P501

View all classifications (2)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH301, H311, H314, H317, H318, H351, H361fd, H373, H412
[9] European Chemicals Agency (ECHA) · 248 reports · DangerH301+H311, H301, H311, H314, H315, H317, H318, H319, H351, H361, H361fd, H373, H412

Exposure limits

PEL: None See Appendix G[5]
REL-TWA (Time Weighted Average): 2 mg/m³[4]
REL: TWA 2 mg/m3[5]
TLV: 2 mg/m[3]
TLV-TWA (Time Weighted Average): 2 mg/m³ [1974][4]
IDLH: N.D. See: IDLH index[5]

First aid

Excerpt from NIOSH Pocket Guide for Cyanamide: 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 flush immediately - If this chemical contacts the skin, immediately flush the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water.[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 flush immediately - If this chemical contacts the skin, immediately flush the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water.[5]
Fresh air, rest. Seek medical attention if you feel unwell.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .[3]

Storage

Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Cool. Store at maximum 20 °C, never exceed 30 °C. Dry. Well closed. Keep in a well-ventilated room. Store only if stabilized. Store in stainless steel, polyethylene or polypropylene.[3]
The commercial 50% solution produced by Degussa AG is stabilized by a special buffer system to a pH between 4.0 and 4.6. Typically, it contains less than 1.5 % dicyandiamide, less than 0.5% urea, and less than 0.1 % thiourea. This solution is stable for at least 3 months if stored at a temperature below 20 °C. Prolonged storage leads to an increase in the pH and thus to instability of the solution. If a pH of 5.2 has been reached, the product should be used quickly, above pH 5.5 it should be discarded immediately by mixing it with at least the double volume of water.[6]
The commercial crystalline Cyanamide F1000 from Degussa AG contains a special stabilizer system to ensure safe handling and transportation. It can be stored at least for 3 months at or below 20 °C. Temperatures above 40 °C must be avoided in any case.[6]
Store in tightly closed containers in a cool well-ventilated area away from acids or acid fumes. Cyanamide can be stored in glass containers if it is stabilized with phosphoric, acetic, sulfuric, or boric acid; it attacks iron and steel, copper and brass. Sources of ignition, such as smoking and open flames, are prohibited where cyanamide is used, handled, or stored in a manner that could create a potential fire or explosion hazard. Wherever cyanamide is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings.[6]

Incompatibilities

... On contact with acid or fumes, it emits toxic fumes of cyanide and nitroxides.[6]
Thermally unstable. Contact with moisture (water), acids, or alkalies may cause a violent reaction above 40 °C.[6]
Cynamide solution easily reacts with metals.[6]
Above 104 degrees F: Moisture, acids or alkalis; 1,2-phenylene diamine salts [Note: Polymerization may occur on evaporation of aqueous solutions].[6]

Safety data sheets on the supplier’s page: Angene Chemical, LGC Standards, Alfa Chemistry.

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

Spectra

13C NMRSpectraBase
GC-MSNIST Mass Spectrometry Data Center · SpectraBase (GC/MS)
UVHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (CAPILLARY CELL: MELT (LIQUID PHASE))
ATR-IRSpectraBase
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]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[11]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.