7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)

HCID 41727

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Basic information

CAS: 56071-30-8
Standard SMILES: Cc1cc2c(cc1C)C([NH3+])CCCO2.[Cl-]
InChIKey: VZFKCRCRMYTXRK-UHFFFAOYSA-N
Molecular formula: C12H18ClNO
Average molar mass: 227.73 g/mol
Monoisotopic mass: 227.1076919

Names & identifiers

Preferred name: 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
IUPAC: (7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride

Names & synonyms

56071-30-8DTXSID909714577,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)RefChem:1074276DTXCID3013989707,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride1-BENZOXEPIN-5-AMINE, 2,3,4,5-TETRAHYDRO-7,8-DIMETHYL-, HYDROCHLORIDE

Database identifiers

CAS: 56071-30-8
PubChem CID: 41727

Properties

Computed structural properties

Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 195

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