5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride

HCID 378641

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Basic information

CAS: 81471-55-8
Standard SMILES: CN(C)CC1CCCc2ccccc2C1=O.Cl
InChIKey: ZFOGITLYBBBXIO-UHFFFAOYSA-N
Molecular formula: C14H20ClNO
Average molar mass: 253.77 g/mol
Monoisotopic mass: 253.123342

Names & identifiers

Preferred name: 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride
IUPAC: 6-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one;hydrochloride

Names & synonyms

81471-55-85H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride6-((Dimethylamino)methyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one hydrochlorideRefChem:305322NSC661440SCHEMBL2126669CHEMBL1994491DTXSID701001999NSC-6614405H-Benzocyclohepten-5-one,7,8,9-tetrahydro-6-[(dimethylamino)methyl]-, hydrochloride6-[(Dimethylamino)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one--hydrogen chloride (1/1)

Database identifiers

CAS: 81471-55-8
PubChem CID: 378641
DTXSID: DTXSID701001999
ChEMBL: CHEMBL1994491

Properties

Computed structural properties

Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 249

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