Basic information
- CAS
91324-15-1- Standard SMILES
OC(CN1CCCCCC1)Cn1c2ccccc2c2ccccc21- InChIKey
XZMXXDXFHOVSEF-UHFFFAOYSA-N- Molecular formula
- C21H26N2O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.20451346
Names & identifiers
- Preferred name
- alpha-((Hexahydro-1H-azepin-1-yl)methyl)-9H-carbazole-9-ethanol
- IUPAC
- 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol
Names & synonyms
91324-15-1alpha-((Hexahydro-1H-azepin-1-yl)methyl)-9H-carbazole-9-ethanol9H-CARBAZOLE-9-ETHANOL, alpha-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-alpha-[(Hexahydro-1H-azepin-1-yl)methyl]-9H-carbazole-9-ethanolRefChem:10764031-(azepan-1-yl)-3-(9H-carbazol-9-yl)propan-2-olCHEMBL4518197BRN 55955501-(azepan-1-yl)-3-carbazol-9-ylpropan-2-olChemDiv1_019635Oprea1_345299Oprea1_686452
Show more names
HMS642M11DTXSID00919820BDBM50613730STK945985AKOS000581589AKOS016316490CCG-233261EBC-610387
Database identifiers
- CAS
91324-15-1- PubChem CID
- 56211
- DTXSID
DTXSID00919820- ChEMBL
CHEMBL4518197
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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