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Molecule
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
Identifiers
CAS Registry Number
110-61-2
SMILES
N#CCCC#N
InChI Key
IAHFWCOBPZCAEA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.09 g/mol | CAS Common Chemistry |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9867 g/cm3 @ 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 |
| 0.8138 | RDKit | |
| Molar Refractivity | 20.459999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 80.037448128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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80
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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.
External Resources
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MW = 80.09 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H4N2.
