Basic information
- CAS
59333-53-8- Standard SMILES
CC(=CC#N)NCc1ccccc1- InChIKey
BYRVBQQUFLOHRK-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- 3-(Benzylamino)but-2-enenitrile
- IUPAC
- 3-(benzylamino)but-2-enenitrile
Names & synonyms
3-(Benzylamino)but-2-enenitrile59333-53-8SCHEMBL29126267DTXSID00787167
Database identifiers
- CAS
59333-53-8- PubChem CID
- 71363653
- DTXSID
DTXSID00787167
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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