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Succinonitrile
CAS: 110-61-2 | C4H4N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-61-2
Molecular Formula:
C4H4N2
Molecular Mass:
80.09 g/mol
Names and Synonyms:
Succinonitrile
Butanedinitrile
Succinonitrile
Deprelin
sym-Dicyanoethane
Dinile
Ethane, 1,2-dicyano-
Ethylene cyanide
Ethylene dicyanide
Succinic acid dinitrile
Succinodinitrile
Suxil
Succinic dinitrile
1,2-Dicyanoethane
Succinil
Dician
Disuxyl
Evanex
Succinic acid nitrile
1,2-Ethanedicarbonitrile
1,4-Butanedinitrile
NSC 4852
Succinyl cyanide
Identifiers:
SMILES:
N#CCCC#N
InChI:
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
Key Properties
Boiling Point
266 °C
CAS Common Chemistry
Melting Point
54.5 °C
CAS Common Chemistry
Density
0.99 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 | 80.09 g/mol | CAS Common Chemistry |
| 80.037448128 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9867 g/cm3 @ Temp: 60 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Succinonitrile | CAS Common Chemistry |
| Boiling Point | 266 °C | CAS Common Chemistry |
| Canonical SMILES | N#CCCC#N | CAS Common Chemistry |
| InChI | InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IAHFWCOBPZCAEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54.5 °C | CAS Common Chemistry |
| Name | Succinonitrile | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 0.81376 | RDKit |
| Molar Refractivity | 20.459999999999994 | RDKit |
