Basic information
- CAS
57855-51-3- Standard SMILES
N=C1C=CC(=C(c2ccccc2)c2ccc(N)cc2)C=C1- InChIKey
PMYHWVXMXZGMBL-UHFFFAOYSA-N- Molecular formula
- C19H16N2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.13134852
Names & identifiers
- Preferred name
- 4-[(4-Imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]benzenamine
- IUPAC
- 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
Names & synonyms
NCIStruc1_001048NCIStruc2_001089SCHEMBL1755473Y828PMH65J4-[(4-Imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]benzenamineYTC2-F_000904YTC2.1-F_000075YTC2.1-F_001041YTC2.1-F_001399YTC2.1-F_001757YTC2.1-F_002115YTC2.1-F_002473
Show more names
YTC2.1-F_00283157855-51-3Benzenamine, 4-[(4-imino-2,5-cyclohexadien-1-ylidene)phenylmethyl]-
Database identifiers
- CAS
57855-51-3- PubChem CID
- 102414
- UNII
- Y828PMH65J
- Nikkaji
- J375.908C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…