Methylbenzethonium

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

CAS: 62741-89-3

Molecular Formula	`C28H44NO2+`
Molecular Weight	426.7 g/mol
LogP	7.1
Topological Polar Surface Area	18.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	12
Exact Mass	426.33722
Heavy Atoms	31
Complexity	502.0

Chemical Identifiers

CAS Number	62741-89-3
SMILES	`CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2`
InChIKey	`UQOOPIMXBSPVJI-UHFFFAOYSA-N`

📖 Product Overview

Methylbenzethonium (CAS: 62741-89-3) is a chemical compound with molecular formula C28H44NO2+ and molecular weight 426.7 g/mol. Its IUPAC systematic name is benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium. LogP 7.1 Topological Polar Surface Area 18.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 12 Exact Mass 426.33722 Heavy Atoms 31 Complexity 502.0 InChI Key: UQOOPIMXBSPVJI-UHFFFAOYSA-N. SMILES: CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.

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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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