psi-Tropine (p-chlorophenyl)acetate hydrochloride structure

psi-Tropine (p-chlorophenyl)acetate hydrochloride

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-chlorophenyl)acetate;hydrochloride

Also Known As: psi-Tropine (p-chlorophenyl)acetate hydrochloride|Tropine (p-chlorophenyl)acetate hydrochloride|1-alpha-H,5-alpha-H-Tropan-3-beta-ol, (p-chlorophenyl)acetate (ester), hydrochloride|[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-chlorophenyl)acetate hydrochloride

CAS: 18650-52-7
Molecular Formula C16H21Cl2NO2
Molecular Weight 329.09494 g/mol
LogP 3.4727
Topological Polar Surface Area 29.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 329.09494
Monoisotopic Mass 329.09494
Heavy Atoms 21
Complexity 340.0

Chemical Identifiers

CAS Number 18650-52-7
SMILES CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CC3=CC=C(C=C3)Cl.Cl
InChIKey XPMDKXYKAPDICY-WQHDNMCPSA-N

Product Overview

psi-Tropine (p-chlorophenyl)acetate hydrochloride (CAS 18650-52-7), with molecular formula C16H21Cl2NO2 and molecular weight 329.09494 g/mol. IUPAC: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-chlorophenyl)acetate;hydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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