Basic information
- CAS
7550-21-2- Standard SMILES
OCC(c1ccccc1)N1CCCCCC1- InChIKey
BDEMAQMSIJJOEY-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)-2-phenylethan-1-ol
- IUPAC
- 2-(azepan-1-yl)-2-phenylethanol
Names & synonyms
7550-21-2DTXSID309969622-(Azepan-1-yl)-2-phenylethan-1-olRefChem:1061438DTXCID8014239721H-AZEPINE-1-ETHANOL, HEXAHYDRO-beta-PHENYL-BRN 1372584beta-Phenylhexahydro-1H-azepine-1-ethanol
Database identifiers
- CAS
7550-21-2- PubChem CID
- 24192
- DTXSID
DTXSID30996962
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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