4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
Basic information
- CAS
6300-59-0- Standard SMILES
N=C1C=CC(=NCc2ccc(N)cc2)C=C1- InChIKey
KUUJKGQZBVGDPE-UHFFFAOYSA-N- Molecular formula
- C13H13N3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.11094743
Names & identifiers
- Preferred name
- 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
- IUPAC
- 4-[[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
Names & synonyms
NSC451706300-59-04-[[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]anilineNSC-45170(4-Aminobenzyl)(4-iminocyclohexa-2,5-dien-1-ylidene)amine
Database identifiers
- CAS
6300-59-0- PubChem CID
- 239748
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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