HEXOPYRRONIUM BROMIDE

(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide

CAS: 3734-12-1

Molecular Formula	`C20H30BrNO3`
Molecular Weight	412.4 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	411.1409
Heavy Atoms	25
Complexity	438.0

Chemical Identifiers

CAS Number	3734-12-1
SMILES	`C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-]`
InChIKey	`YEVVXURMULIHJU-UHFFFAOYSA-M`

📖 Product Overview

HEXOPYRRONIUM BROMIDE (CAS: 3734-12-1) is a chemical compound with molecular formula C20H30BrNO3 and molecular weight 412.4 g/mol. Its IUPAC systematic name is (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 411.1409 Heavy Atoms 25 Complexity 438.0 InChI Key: YEVVXURMULIHJU-UHFFFAOYSA-M. SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-].

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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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