benzethonium chloride

benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride

CAS: 121-54-0

Molecular Formula	`C27H42ClNO2`
Molecular Weight	448.1 g/mol
Topological Polar Surface Area	18.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	12
Exact Mass	447.2904
Heavy Atoms	31
Complexity	466.0

Chemical Identifiers

CAS Number	121-54-0
SMILES	`CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]`
InChIKey	`UREZNYTWGJKWBI-UHFFFAOYSA-M`

📖 Product Overview

benzethonium chloride (CAS: 121-54-0) is a chemical compound with molecular formula C27H42ClNO2 and molecular weight 448.1 g/mol. Its IUPAC systematic name is benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride. Topological Polar Surface Area 18.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 12 Exact Mass 447.2904 Heavy Atoms 31 Complexity 466.0 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M. SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-].

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