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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
Common Name
EDN Fumigas
Synonym
Dicyan
Synonym
Nitriloacetonitrile
Synonym
Oxalyl cyanide
Synonym
Cyanogen
Synonym
Oxalonitrile
Synonym
Carbon nitride (C2N2)
Synonym
Oxalic acid dinitrile
Synonym
Dicyanogen
Synonym
Cyanogen (C2N2)
Synonym
Ethanedinitrile
Synonym
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
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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 |
|---|---|---|
| cas-boiling-point | -21.17 °C None | Legacy Database |
| cas-canonical-smile | N#CC#N 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 |
| 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 |
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 |