Benzilonium bromide

(1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide

CAS: 1050-48-2

Molecular Formula	`C22H28BrNO3`
Molecular Weight	434.4 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	433.12527
Heavy Atoms	27
Complexity	444.0

Chemical Identifiers

CAS Number	1050-48-2
SMILES	`CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC.[Br-]`
InChIKey	`GGMMWVHTLAENAS-UHFFFAOYSA-M`

📖 Product Overview

Benzilonium bromide (CAS: 1050-48-2) is a chemical compound with molecular formula C22H28BrNO3 and molecular weight 434.4 g/mol. Its IUPAC systematic name is (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 433.12527 Heavy Atoms 27 Complexity 444.0 InChI Key: GGMMWVHTLAENAS-UHFFFAOYSA-M. SMILES: CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC.[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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