Dimethyl(2-hydroxyethyl)propylammonium bromide benzilate

2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propylazanium bromide

CAS: 57876-22-9

Molecular Formula	`C21H28BrNO3`
Molecular Weight	422.4 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	421.12527
Heavy Atoms	26
Complexity	391.0

Chemical Identifiers

CAS Number	57876-22-9
SMILES	`CCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]`
InChIKey	`TZSOXWMYOZPGBX-UHFFFAOYSA-M`

📖 Product Overview

Dimethyl(2-hydroxyethyl)propylammonium bromide benzilate (CAS: 57876-22-9) is a chemical compound with molecular formula C21H28BrNO3 and molecular weight 422.4 g/mol. Its IUPAC systematic name is 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propylazanium bromide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 421.12527 Heavy Atoms 26 Complexity 391.0 InChI Key: TZSOXWMYOZPGBX-UHFFFAOYSA-M. SMILES: CCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[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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