Basic information
- CAS
68840-81-3- Standard SMILES
c1ccc(CC2CCCCCN2)cc1- InChIKey
GCXJNDWBSJHSGC-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- 2-Benzyl-azepane
- IUPAC
- 2-benzylazepane
- English name
- 2-Benzyl-azepane
- Molecular weight
- 0
Names & synonyms
(2R)-2-benzylazepane2-benzylazepane2-BENZYL-AZEPANE2381259-83-068840-81-32-benzylperhydroazepineSCHEMBL11472596SCHEMBL11669399DTXSID10391794GCXJNDWBSJHSGC-UHFFFAOYSA-NAKOS011835906SB74714
Database identifiers
- CAS
68840-81-3- PubChem CID
- 3361401
- DTXSID
DTXSID10391794- Nikkaji
- J1.507.479E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
Chemistry & industry
Suppliers1 total
AlliChem, LLC[email protected]
Related reactions
2 records
Compound notes
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