benzyl-(2-carboxyethyl)-(2-chloroethyl)azanium chloride

CAS: 91802-85-6

Molecular Formula	`C12H17Cl2NO2`
Molecular Weight	278.17 g/mol
Topological Polar Surface Area	41.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	277.06363
Heavy Atoms	17
Complexity	205.0

Chemical Identifiers

CAS Number	91802-85-6
SMILES	`C1=CC=C(C=C1)C[NH+](CCC(=O)O)CCCl.[Cl-]`
InChIKey	`FWACOTOTSNQGAU-UHFFFAOYSA-N`

📖 Product Overview

benzyl-(2-carboxyethyl)-(2-chloroethyl)azanium chloride (CAS: 91802-85-6) is a chemical compound with molecular formula C12H17Cl2NO2 and molecular weight 278.17 g/mol. Its IUPAC systematic name is benzyl-(2-carboxyethyl)-(2-chloroethyl)azanium chloride. Topological Polar Surface Area 41.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 277.06363 Heavy Atoms 17 Complexity 205.0 InChI Key: FWACOTOTSNQGAU-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C[NH+](CCC(=O)O)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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