Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride

HCID 45236

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Basic information

CAS: 63916-75-6
Standard SMILES: CCC(OC(=O)c1ccccc1)C(c1ccccc1)(c1ccccc1)C(C)C[NH+](C)C.[Cl-]
InChIKey: MNEFHXBPYCMINU-UHFFFAOYSA-N
Molecular formula: C28H34ClNO2
Average molar mass: 452 g/mol
Monoisotopic mass: 451.227807

Names & identifiers

Preferred name: Benzoic acid, 6-dimethylamino-4,4-diphenyl-5-methyl-3-hexyl ester, hydrochloride
IUPAC: (4-benzoyloxy-2-methyl-3,3-diphenylhexyl)-dimethylazanium chloride

Names & synonyms

63916-75-6BENZOIC ACID, 6-DIMETHYLAMINO-4,4-DIPHENYL-5-METHYL-3-HEXYL ESTER, HYDROCHLORIDERefChem:10792133-Benzooxy-6-dimethylamino-4,4-diphenyl-5-methylhexane hydrochloride

Database identifiers

CAS: 63916-75-6
PubChem CID: 45236

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 32
Formal charge: 0
Complexity: 509

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