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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 Weight:
80.09 g/mol
Names and Synonyms:
Succinonitrile
Synonym
Butanedinitrile
Synonym
Succinonitrile
Synonym
Deprelin
Synonym
sym-Dicyanoethane
Synonym
Dinile
Synonym
Ethane, 1,2-dicyano-
Synonym
Ethylene cyanide
Synonym
Ethylene dicyanide
Synonym
Succinic acid dinitrile
Synonym
Succinodinitrile
Synonym
Suxil
Synonym
Succinic dinitrile
Synonym
1,2-Dicyanoethane
Synonym
Succinil
Synonym
Dician
Synonym
Disuxyl
Synonym
Evanex
Synonym
Succinic acid nitrile
Synonym
1,2-Ethanedicarbonitrile
Synonym
1,4-Butanedinitrile
Synonym
NSC 4852
Synonym
Succinyl cyanide
Synonym
Identifiers:
SMILES:
N#CCCC#N
InChI:
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
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 | 80.09 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Succinonitrile None | Legacy Database |
| cas-boiling-point | 266 °C None | Legacy Database |
| cas-canonical-smile | N#CCCC#N None | Legacy Database |
| cas-density | 0.9867 g/cm3 @ Temp: 60 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IAHFWCOBPZCAEA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 54.5 °C None | Legacy Database |
| cas-name | Succinonitrile None | Legacy Database |
| wikipedia-name | Succinonitrile None | Legacy Database |
| LogP | 0.81376 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 80.09 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 80.037448128 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 20.459999999999994 | RDKit |