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

CAS: 16793-70-7

Molecular Formula	`C21H28BrCl2NO`
Molecular Weight	461.3 g/mol
Topological Polar Surface Area	13.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	459.07312
Heavy Atoms	26
Complexity	360.0

Chemical Identifiers

CAS Number	16793-70-7
SMILES	`CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=C(C=C2)Br.[Cl-]`
InChIKey	`IHWKJBFRXRXOMP-UHFFFAOYSA-N`

📖 Product Overview

(4-bromophenyl)methyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride (CAS: 16793-70-7) is a chemical compound with molecular formula C21H28BrCl2NO and molecular weight 461.3 g/mol. Its IUPAC systematic name is (4-bromophenyl)methyl-(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 459.07312 Heavy Atoms 26 Complexity 360.0 InChI Key: IHWKJBFRXRXOMP-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=C(C=C2)Br.[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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (4-bromophenyl)methyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride.

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