bis(2-chloroethyl)-(1-phenylethyl)azanium chloride

CAS: 100427-81-4

Molecular Formula	`C12H18Cl3N`
Molecular Weight	282.6 g/mol
Topological Polar Surface Area	4.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	6
Exact Mass	281.05048
Heavy Atoms	16
Complexity	152.0

Chemical Identifiers

CAS Number	100427-81-4
SMILES	`CC(C1=CC=CC=C1)[NH+](CCCl)CCCl.[Cl-]`
InChIKey	`NVFRRXNOTODTTJ-UHFFFAOYSA-N`

📖 Product Overview

bis(2-chloroethyl)-(1-phenylethyl)azanium chloride (CAS: 100427-81-4) is a chemical compound with molecular formula C12H18Cl3N and molecular weight 282.6 g/mol. Its IUPAC systematic name is bis(2-chloroethyl)-(1-phenylethyl)azanium chloride. Topological Polar Surface Area 4.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 1 Rotatable Bonds 6 Exact Mass 281.05048 Heavy Atoms 16 Complexity 152.0 InChI Key: NVFRRXNOTODTTJ-UHFFFAOYSA-N. SMILES: CC(C1=CC=CC=C1)[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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