[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride

CAS: 77966-38-2

Molecular Formula	`C22H31Cl4N3O`
Molecular Weight	495.3 g/mol
Topological Polar Surface Area	38.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	495.11917
Heavy Atoms	30
Complexity	453.0

Chemical Identifiers

CAS Number	77966-38-2
SMILES	`CC[NH+](CC)CC[NH+](CC1=CC=C(C=C1)Cl)CC(=O)NC2=C(C=CC=C2Cl)C.[Cl-].[Cl-]`
InChIKey	`XGOCQYAXNACGKF-UHFFFAOYSA-N`

📖 Product Overview

[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride (CAS: 77966-38-2) is a chemical compound with molecular formula C22H31Cl4N3O and molecular weight 495.3 g/mol. Its IUPAC systematic name is [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[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 495.11917 Heavy Atoms 30 Complexity 453.0 InChI Key: XGOCQYAXNACGKF-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH+](CC1=CC=C(C=C1)Cl)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 [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[(4-chlorophenyl)methyl]-[2-(diethylazaniumyl)ethyl]azanium dichloride.

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