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

HCID 41897

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Basic information

CAS: 56485-51-9
Standard SMILES: C[NH2+]C1CCCc2ccccc2C1.[Cl-]
InChIKey: KAMFZYMAQFNTDE-UHFFFAOYSA-N
Molecular formula: C12H18ClN
Average molar mass: 211.73 g/mol
Monoisotopic mass: 211.1127773

Names & identifiers

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

Names & synonyms

(+-)-6-Methylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene hydrochloride(+-)-6,7,8,9-Tetrahydro-N-methyl-5H-benzocyclohepten-6-amine hydrochloride5H-BENZOCYCLOHEPTEN-6-AMINE, 6,7,8,9-TETRAHYDRO-N-METHYL-, HYDROCHLORIDE, (+-)-56485-51-9RefChem:305329

Database identifiers

CAS: 56485-51-9
PubChem CID: 41897

Properties

Computed structural properties

Topological polar surface area: 16.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 155

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