Propanedinitrile, (1-phenylbutylidene)-
Basic information
- CAS
68761-08-0- Standard SMILES
CCCC(=C(C#N)C#N)c1ccccc1- InChIKey
JALGCHVDKVHJID-UHFFFAOYSA-N- Molecular formula
- C13H12N2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.10004839
Names & identifiers
- Preferred name
- Propanedinitrile, (1-phenylbutylidene)-
- IUPAC
- 2-(1-phenylbutylidene)propanedinitrile
- English name
- alpha-Propylbenzylidenemalononitrile
- Molecular formula
- C13H12N2
- Molecular weight
- 196.25
Names & synonyms
68761-08-0Propanedinitrile, (1-phenylbutylidene)-DTXSID20399988RefChem:374387DTXCID903508442-(1-Phenylbutylidene)malononitrileALPHA-PROPYLBENZYLIDENEMALONONITRILE(1-Phenylbutylidene)propanedinitrileAKOS024335589Propanedinitrile, 2-(1-phenylbutylidene)-
Database identifiers
- CAS
68761-08-0- PubChem CID
- 4153447
- DTXSID
DTXSID20399988
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 317.4 · 317.4±22.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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