5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-alpha-methyl-, hydrochloride

HCID 39351

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Basic information

CAS: 42882-78-0
Standard SMILES: CC([NH3+])c1ccc2c(c1)CCCCC2.[Cl-]
InChIKey: MMMLOMJCSILEIW-UHFFFAOYSA-N
Molecular formula: C13H20ClN
Average molar mass: 225.76 g/mol
Monoisotopic mass: 225.1284273

Names & identifiers

Preferred name: 5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-alpha-methyl-, hydrochloride
IUPAC: 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethylazanium chloride

Names & synonyms

42882-78-01-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)ethylamine hydrochloride5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-alpha-methyl-, hydrochloride6,7,8,9-Tetrahydro-alpha-methyl-5H-benzocycloheptene-2-methanamine hydrochlorideRefChem:305359

Database identifiers

CAS: 42882-78-0
PubChem CID: 39351

Properties

Computed structural properties

Topological polar surface area: 27.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 178

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