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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 Mass:
42.04 g/mol
Names and Synonyms:
Cyanamide
Cyanamide
Amidocyanogen
Cyanogenamide
Cyanogen nitride
Carbamonitrile
Cyanoamine
Hydrogen cyanamide
N-Cyanoamine
Alzogur
Carbimide
TsAKS
NSC 24133
Dormex
Deurbraak
Cyanamide F 1000
F 1000
Dyhard VP 111
Amino cyanide
CY 100
Dormax
Identifiers:
SMILES:
N#CN
InChI:
InChI=1S/CH2N2/c2-1-3/h2H2
Key Properties
Boiling Point
83 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
45-46 °C
CAS Common Chemistry
Density
1.28 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 42.04 g/mol | CAS Common Chemistry |
| 42.041 g/mol | RDKit | |
| 42.021798063999995 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.282 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyanamide | CAS Common Chemistry |
| Boiling Point | 83 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CN | CAS Common Chemistry |
| InChI | InChI=1S/CH2N2/c2-1-3/h2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-46 °C | CAS Common Chemistry |
| Name | Cyanamide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.81 Ų | RDKit |
| LogP | -0.57382 | RDKit |
| Molar Refractivity | 9.8004 | RDKit |
