N-phenylbenzo[cd]indol-2-amine
Basic information
- CAS
67880-02-8- Standard SMILES
c1ccc(NC2=Nc3cccc4cccc2c34)cc1- InChIKey
PZDWMECEPSATFL-UHFFFAOYSA-N- Molecular formula
- C17H12N2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.10004839
Names & identifiers
- Preferred name
- N-phenylbenzo[cd]indol-2-amine
- IUPAC
- N-phenylbenzo[cd]indol-2-amine
Names & synonyms
N-phenylbenzo[cd]indol-2-amine67880-02-8MLS000765937SMR000279643CBMicro_009365cid_802502N-phenyl-2-benzo[cd]indolamineCHEMBL1481261BDBM94806benzo[cd]indol-2-yl(phenyl)amineDTXSID601320497HMS2666A17
Show more names
SMSF0005512STL325259N-benzo[cd]indol-2-yl-N-phenylamineAKOS000663123CB12133BIM-0009297.P001ST50727050AE-907/30535021
Database identifiers
- CAS
67880-02-8- PubChem CID
- 802502
- DTXSID
DTXSID601320497- ChEMBL
CHEMBL1481261
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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