5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride, (+-)-

HCID 41899

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Basic information

CAS: 56485-55-3
Standard SMILES: C[NH+](C)C1CCCc2ccccc2C1.[Cl-]
InChIKey: OTSZBWBSQMNPNV-UHFFFAOYSA-N
Molecular formula: C13H20ClN
Average molar mass: 225.76 g/mol
Monoisotopic mass: 225.1284273

Names & identifiers

Preferred name: 5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride, (+-)-
IUPAC: dimethyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)azanium chloride

Names & synonyms

56485-55-3(+-)-6-Dimethylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene hydrochloride(+-)-6,7,8,9-Tetrahydro-N,N-dimethyl-5H-benzocyclohepten-6-amine hydrochloride5H-Benzocyclohepten-6-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride, (+-)-RefChem:305328

Database identifiers

CAS: 56485-55-3
PubChem CID: 41899

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 176

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