Basic information
- CAS
468747-47-9- Standard SMILES
N#C/C(N)=C/Nc1ccccc1- InChIKey
UWIIUHCHQPENBK-FPLPWBNLSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- (Z)-2-amino-3-anilinoprop-2-enenitrile
- IUPAC
- (Z)-2-amino-3-anilinoprop-2-enenitrile
- English name
- 2-Propenenitrile,2-amino-3-(phenylamino)-(9CI)
- Molecular formula
- C9H9N3
- Molecular weight
- 159.18786
Names & synonyms
2-Propenenitrile,2-amino-3-(phenylamino)-(9CI)
Database identifiers
- CAS
468747-47-9- PubChem CID
- 922279
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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