1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride
Basic information
- CAS
5005-81-2- Standard SMILES
C1CCC(C[NH+]2CCCCCC2)CC1.[Cl-]- InChIKey
OLLAYUZHSKRKSU-UHFFFAOYSA-N- Molecular formula
- C13H26ClN
- Average molar mass
- 231.8 g/mol
- Monoisotopic mass
- 231.1753775
Names & identifiers
- Preferred name
- 1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride
- IUPAC
- 1-(cyclohexylmethyl)azepan-1-ium chloride
Names & synonyms
5005-81-21H-AZEPINE, HEXAHYDRO-1-(CYCLOHEXYLMETHYL)-, HYDROCHLORIDERefChem:10577871-(Cyclohexylmethyl)hexahydro-1H-azepine hydrochloride
Database identifiers
- CAS
5005-81-2- PubChem CID
- 21104
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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