N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride

bis(2-chloroethyl)-[(5-chloro-2-methoxyphenyl)methyl]azanium chloride

CAS: 27057-91-6

Molecular Formula	`C12H17Cl4NO`
Molecular Weight	333.1 g/mol
Topological Polar Surface Area	13.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	7
Exact Mass	333.00348
Heavy Atoms	18
Complexity	200.0

Chemical Identifiers

CAS Number	27057-91-6
SMILES	`COC1=C(C=C(C=C1)Cl)C[NH+](CCCl)CCCl.[Cl-]`
InChIKey	`AJBRFGMTGTVDII-UHFFFAOYSA-N`

📖 Product Overview

N,N-Bis(2-chloroethyl)-3-chloro-6-methoxybenzylamine hydrochloride (CAS: 27057-91-6) is a chemical compound with molecular formula C12H17Cl4NO and molecular weight 333.1 g/mol. Its IUPAC systematic name is bis(2-chloroethyl)-[(5-chloro-2-methoxyphenyl)methyl]azanium chloride. Topological Polar Surface Area 13.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 7 Exact Mass 333.00348 Heavy Atoms 18 Complexity 200.0 InChI Key: AJBRFGMTGTVDII-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)Cl)C[NH+](CCCl)CCCl.[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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