9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-
Basic information
- CAS
127042-69-7- Standard SMILES
Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1- InChIKey
JPFQINVOSKUDHH-UHFFFAOYSA-N- Molecular formula
- C17H13N3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.11094743
Names & identifiers
- Preferred name
- 9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-
- IUPAC
- 1-phenyl-9H-pyrido[3,4-b]indol-6-amine
Names & synonyms
127042-69-79H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-1-phenyl-9H-pyrido[3,4-b]indol-6-amineNSC620317CHEMBL1983480DTXSID90326887NSC-620317NCI60_006001
Database identifiers
- CAS
127042-69-7- PubChem CID
- 359452
- DTXSID
DTXSID90326887- ChEMBL
CHEMBL1983480
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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