Cyclohexanol, 2-((dimethylamino)methyl)-4,4-diphenyl-, acetate (ester), hydrochloride

HCID 3049986

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Basic information

CAS: 65445-81-0
Standard SMILES: CC(=O)OC1CCC(c2ccccc2)(c2ccccc2)CC1CN(C)C.Cl
InChIKey: IBHHGMPSHUQZAT-UHFFFAOYSA-N
Molecular formula: C23H30ClNO2
Average molar mass: 387.9 g/mol
Monoisotopic mass: 387.1965069

Names & identifiers

Preferred name: Cyclohexanol, 2-((dimethylamino)methyl)-4,4-diphenyl-, acetate (ester), hydrochloride
IUPAC: [2-[(dimethylamino)methyl]-4,4-diphenylcyclohexyl] acetate;hydrochloride

Names & synonyms

N,N-Dimethyl-2-aminomethyl-4,4-diphenylcyclohexylacetate hydrochloride2-((Dimethylamino)methyl)-4,4-diphenylcyclohexanol acetate (ester) hydrochloride65445-81-0Cyclohexanol, 2-((dimethylamino)methyl)-4,4-diphenyl-, acetate (ester), hydrochlorideRefChem:335477DTXSID809840562~3~-[(Dimethylamino)methyl]-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-2~4~-yl acetate--hydrogen chloride (1/1)

Database identifiers

CAS: 65445-81-0
PubChem CID: 3049986
DTXSID: DTXSID80984056

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 431

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