Basic information
- CAS
22123-53-1- Standard SMILES
CC(C)(C)C=C(C#N)C#N- InChIKey
PLIHKJFNCMBRFM-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439833
Names & identifiers
- Preferred name
- Malononitrile, neopentylidene-
- IUPAC
- 2-(2,2-dimethylpropylidene)propanedinitrile
- English name
- 2,2-Dimethylpropylidenemalononitrile
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
(2,2-dimethylpropylidene)malononitrileMalononitrile, neopentylidene-2-(2,2-Dimethylpropylidene)malononitrilePropanedinitrile, (2,2-dimethylpropylidene)-22123-53-1SCHEMBL3707253DTXSID80340375(2,2-Dimethylpropylidene)propanedinitrile2-(2,2-Dimethylpropylidene)malononitrile #2,2-Dimethylpropylidenemalononitrile3,3-Dimethyl-1-butene-1,1-dicarbonitrile2-(2,2-Dimethylpropylidene)propanedinitrile
Show more names
Propanedinitrile, 2-(2,2-dimethylpropylidene)-
Database identifiers
- CAS
22123-53-1- PubChem CID
- 564299
- DTXSID
DTXSID80340375- Nikkaji
- J142.931K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 64 · 64-65 °C
- Boiling point
- 223 · 223.0±13.0 °C(Predicted)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
Related reactions
2 records
Compound notes
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