benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride

CAS: 102489-45-2

Molecular Formula	`C22H32Cl3N3O`
Molecular Weight	460.9 g/mol
Topological Polar Surface Area	38.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	459.1611
Heavy Atoms	29
Complexity	424.0

Chemical Identifiers

CAS Number	102489-45-2
SMILES	`CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-].[Cl-]`
InChIKey	`ZRYALCUWWLVYFO-UHFFFAOYSA-N`

📖 Product Overview

benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride (CAS: 102489-45-2) is a chemical compound with molecular formula C22H32Cl3N3O and molecular weight 460.9 g/mol. Its IUPAC systematic name is benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride. Topological Polar Surface Area 38.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 10 Exact Mass 459.1611 Heavy Atoms 29 Complexity 424.0 InChI Key: ZRYALCUWWLVYFO-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-].[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 benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride.

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