Basic information
- CAS
58106-57-3- Standard SMILES
N#C/C=C/c1ccccc1N- InChIKey
BYEHYSHPUIZTSR-HWKANZROSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- (E)-3-(2-aminophenyl)prop-2-enenitrile
- IUPAC
- (E)-3-(2-aminophenyl)prop-2-enenitrile
Names & synonyms
SCHEMBL3366321AKOS005158616
Database identifiers
- CAS
58106-57-3- PubChem CID
- 12372334
- Nikkaji
- J3.287.641B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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