Basic information
- CAS
4388-91-4- Standard SMILES
C=C(C#N)CCCC- InChIKey
ZEGCGUNSDMAYRF-UHFFFAOYSA-N- Molecular formula
- C7H11N
- Average molar mass
- 109.17 g/mol
- Monoisotopic mass
- 109.08914935
Names & identifiers
- Preferred name
- 2-Butylacrylonitrile
- IUPAC
- 2-methylidenehexanenitrile
Names & synonyms
2-Butylacrylonitrilebutyl acrylonitrile2-methylidenehexanenitrile4388-91-42-Cyano-1-hexene2-Butylacrylonitrile #2-methylene-hexanenitrileSCHEMBL604162SCHEMBL27549738DTXSID00335349
Database identifiers
- CAS
4388-91-4- PubChem CID
- 524765
- DTXSID
DTXSID00335349- Nikkaji
- J800.725J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Related reactions
1 records
Compound notes
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