Basic information
- Standard SMILES
Clc1ccc(CC2CCCCCN2)cc1- InChIKey
OFYXLEPTLFZDDA-UHFFFAOYSA-N- Molecular formula
- C13H18ClN
- Average molar mass
- 223.74 g/mol
- Monoisotopic mass
- 223.11277726
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)methyl]azepane
- IUPAC
- 2-[(4-chlorophenyl)methyl]azepane
- English name
- 2-[(4-Chlorophenyl)methyl]hexahydro-1H-azepine
- Molecular formula
- C13H18ClN
- Molecular weight
- 223.74
Names & synonyms
2-(4-Chlorobenzyl)azepane2-[(4-chlorophenyl)methyl]azepane68840-79-9SCHEMBL11474398DTXSID503980652-(4-chlorobenzyl)perhydroazepineOFYXLEPTLFZDDA-UHFFFAOYSA-NAKOS0118335082-[(4-Chlorophenyl)methyl]hexahydro-1H-azepine1H-Azepine, 2-[(4-chlorophenyl)methyl]hexahydro-
Database identifiers
- CAS
68840-79-9- PubChem CID
- 3933809
- DTXSID
DTXSID50398065
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Chemistry & industry
Suppliers1 total
AlliChem, LLC[email protected]
Related reactions
9 records
Linked notes
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