Back to Search
Cyanogen
CAS: 460-19-5 | C2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
460-19-5
Molecular Formula:
C2N2
Molecular Weight:
52.035999999999994 g/mol
Names and Synonyms:
Cyanogen
EDN Fumigas
Dicyan
Nitriloacetonitrile
Oxalyl cyanide
Cyanogen
Oxalonitrile
Carbon nitride (C2N2)
Oxalic acid dinitrile
Dicyanogen
Cyanogen (C2N2)
Ethanedinitrile
Identifiers:
SMILES:
N#CC#N
InChI:
InChI=1S/C2N2/c3-1-2-4
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 | 52.04 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyanogen None | Legacy Database |
| cas-boiling-point | -21.17 °C None | Legacy Database |
| cas-density | 0.9537 g/cm3 @ Temp: -21.17 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2N2/c3-1-2-4 None | Legacy Database |
| cas-inchi-key | InChIKey=JMANVNJQNLATNU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -27.9 °C None | Legacy Database |
| cas-name | Ethanedinitrile None | Legacy Database |
| wikipedia-name | Cyanogen None | Legacy Database |
| LogP | 0.03356 | RDKit |
| cas-canonical-smile | N#CC#N None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 52.035999999999994 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 52.006147999999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 47.58 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 11.225999999999999 | RDKit |
