1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-6-methoxy-, hydrochloride

HCID 51635

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Basic information

CAS: 72604-99-0
Standard SMILES: COc1ccc2c(c1)CCC(C[NH+](C)C)C2=O.[Cl-]
InChIKey: IUWQUYVJBICQBZ-UHFFFAOYSA-N
Molecular formula: C14H20ClNO2
Average molar mass: 269.77 g/mol
Monoisotopic mass: 269.1182566

Names & identifiers

Preferred name: 1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-6-methoxy-, hydrochloride
IUPAC: (6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium chloride

Names & synonyms

N-6431(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-6-methoxy-, hydrochloride3,4-Dihydro-2-((dimethylamino)methyl)-6-methoxy-1(2H)-naphthalenone hydrochloride72604-99-0RefChem:211498

Database identifiers

CAS: 72604-99-0
PubChem CID: 51635

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 277

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