Basic information
- CAS
68841-24-7- Standard SMILES
Cc1ccc(CC2CCCCCN2)cc1- InChIKey
SXSKIGANCQBMFE-UHFFFAOYSA-N- Molecular formula
- C14H21N
- Average molar mass
- 203.32 g/mol
- Monoisotopic mass
- 203.16739967
Names & identifiers
- Preferred name
- 2-(4-Methylbenzyl)azepane
- IUPAC
- 2-[(4-methylphenyl)methyl]azepane
- English name
- Hexahydro-2-[(4-methylphenyl)methyl]-1H-azepine
- Molecular weight
- 0
Names & synonyms
2-(4-methylbenzyl)azepane68841-24-72-[(4-methylphenyl)methyl]azepaneHEXAHYDRO-2-[(4-METHYLPHENYL)METHYL]-1H-AZEPINESCHEMBL11469763DTXSID104011202-(4-methylbenzyl)perhydroazepineSXSKIGANCQBMFE-UHFFFAOYSA-NAKOS005144002
Database identifiers
- CAS
68841-24-7- PubChem CID
- 4239159
- DTXSID
DTXSID10401120
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 170
Chemistry & industry
Suppliers2 total
AlliChem, LLC[email protected]
A.J Chemicals[email protected]
Related reactions
2 records
Compound notes
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