benzyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride

CAS: 16793-69-4

Molecular Formula	`C21H29Cl2NO`
Molecular Weight	382.4 g/mol
Topological Polar Surface Area	13.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	381.16263
Heavy Atoms	25
Complexity	330.0

Chemical Identifiers

CAS Number	16793-69-4
SMILES	`CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=CC=C2.[Cl-]`
InChIKey	`HUOVSPHZAQPRFC-UHFFFAOYSA-N`

📖 Product Overview

benzyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride (CAS: 16793-69-4) is a chemical compound with molecular formula C21H29Cl2NO and molecular weight 382.4 g/mol. Its IUPAC systematic name is benzyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride. Topological Polar Surface Area 13.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 9 Exact Mass 381.16263 Heavy Atoms 25 Complexity 330.0 InChI Key: HUOVSPHZAQPRFC-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=CC=C2.[Cl-].

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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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