Basic information
- CAS
487-61-6- Standard SMILES
Nc1ccc(/C=C2\C=Cc3ccccc32)cc1- InChIKey
GISMNWZLKDONAA-SDNWHVSQSA-N- Molecular formula
- C16H13N
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.10479942
Names & identifiers
- Preferred name
- p-Toluidine, alpha-inden-1-ylidene-
- IUPAC
- 4-[(E)-inden-1-ylidenemethyl]aniline
Names & synonyms
NSC83092CHEMBL193376p-Toluidine, .alpha.-inden-1-ylidene-4-(1H-Inden-1-ylidenemethyl)phenylamineBenzenamine, 4-(1H-inden-1-ylidenemethyl)-4-[(E)-inden-1-ylidenemethyl]anilineMLS0026941464-(1H-Inden-1-ylidenemethyl)anilineWLN: L56 BYJ BU1R DZ4-Inden-(1E)-ylidenemethyl-phenylaminecid_98148BDBM50164749
Show more names
NSC-83092NCGC00186285-01NCGC00186285-02NCGC00186285-03NCGC00186285-04NCGC00186285-05NCGC00186285-06NCGC00186285-07
Database identifiers
- CAS
487-61-6- PubChem CID
- 6476992
- ChEMBL
CHEMBL193376
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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