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Cyanamide
CAS: 420-04-2 | CH2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
420-04-2
Molecular Formula:
CH2N2
Molecular Weight:
42.041 g/mol
Names and Synonyms:
Cyanamide
Common Name
Cyanoamine
Synonym
Carbamonitrile
Synonym
Cyanogen nitride
Synonym
Cyanogenamide
Synonym
Amidocyanogen
Synonym
Cyanamide
Synonym
Dormax
Synonym
CY 100
Synonym
Amino cyanide
Synonym
Dyhard VP 111
Synonym
F 1000
Synonym
Cyanamide F 1000
Synonym
Deurbraak
Synonym
Dormex
Synonym
NSC 24133
Synonym
TsAKS
Synonym
Carbimide
Synonym
Alzogur
Synonym
N-Cyanoamine
Synonym
Hydrogen cyanamide
Synonym
Identifiers:
SMILES:
N#CN
InChI:
InChI=1S/CH2N2/c2-1-3/h2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 42.04 g/mol | Legacy Database |
| density | 1.28 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyanamide None | Legacy Database |
| cas-boiling-point | 83 °C @ Press: 0.5 Torr None | Legacy Database |
| cas-canonical-smile | N#CN None | Legacy Database |
| cas-density | 1.282 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH2N2/c2-1-3/h2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 45-46 °C None | Legacy Database |
| cas-name | Cyanamide None | Legacy Database |
| wikipedia-name | Cyanamide None | Legacy Database |
| LogP | -0.57382 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 42.041 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 42.021798063999995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.81 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 9.8004 | RDKit |