3-Hexanol, 6-(dimethylamino)methyl-4,4-diphenyl-, acetate, hydrochloride

HCID 44677

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Basic information

CAS: 63765-82-2
Standard SMILES: CCC(OC(C)=O)C(CCC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey: PBHIEANRWCQSNC-UHFFFAOYSA-N
Molecular formula: C23H32ClNO2
Average molar mass: 390 g/mol
Monoisotopic mass: 389.212157

Names & identifiers

Preferred name: 3-Hexanol, 6-(dimethylamino)methyl-4,4-diphenyl-, acetate, hydrochloride
IUPAC: (5-acetyloxy-4,4-diphenylheptyl)-dimethylazanium chloride

Names & synonyms

63765-82-23-HEXANOL, 6-(DIMETHYLAMINO)METHYL-4,4-DIPHENYL-, ACETATE, HYDROCHLORIDERefChem:10679015-Acetoxy-N,N-dimethyl-4,4-diphenylheptylamine hydrochlorideHeptylamine, 5-acetoxy-N,N-dimethyl-4,4-diphenyl-, hydrochloride3-Acetoxy-6-dimethylamino-4,4-diphenyl-5-methyl hexane hydrochlorideACETIC ACID, (5-(DIMETHYLAMINO)-2,2-DIPHENYL-1-ETHYL)PENTYL ESTER, HYDROCHLORIDE66827-42-7

Database identifiers

CAS: 63765-82-2、66827-42-7
PubChem CID: 44677

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 27
Formal charge: 0
Complexity: 390

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