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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 Mass:
52.04 g/mol
Names and Synonyms:
Cyanogen
Ethanedinitrile
Cyanogen (C2N2)
Dicyanogen
Oxalic acid dinitrile
Carbon nitride (C2N2)
Oxalonitrile
Cyanogen
Oxalyl cyanide
Nitriloacetonitrile
Dicyan
EDN Fumigas
Identifiers:
SMILES:
N#CC#N
InChI:
InChI=1S/C2N2/c3-1-2-4
Key Properties
Boiling Point
-21.17 °C
CAS Common Chemistry
Melting Point
-27.9 °C
CAS Common Chemistry
Density
0.95 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 | 52.04 g/mol | CAS Common Chemistry |
| 52.035999999999994 g/mol | RDKit | |
| 52.006147999999996 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9537 g/cm3 @ Temp: -21.17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyanogen | CAS Common Chemistry |
| Boiling Point | -21.17 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC#N | CAS Common Chemistry |
| InChI | InChI=1S/C2N2/c3-1-2-4 | CAS Common Chemistry |
| InChI Key | InChIKey=JMANVNJQNLATNU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -27.9 °C | CAS Common Chemistry |
| Name | Ethanedinitrile | CAS Common Chemistry |
| Cyanogen | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 0.03356 | RDKit |
| Molar Refractivity | 11.225999999999999 | RDKit |
