[2-(4-chloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride

CAS: 77791-57-2

Molecular Formula	`C15H26Cl3N3O`
Molecular Weight	370.7 g/mol
Topological Polar Surface Area	38.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	8
Exact Mass	369.11414
Heavy Atoms	22
Complexity	276.0

Chemical Identifiers

CAS Number	77791-57-2
SMILES	`CC[NH+](CC)CC[NH+](C)CC(=O)NC1=CC=C(C=C1)Cl.[Cl-].[Cl-]`
InChIKey	`YTIHHGOCUSWTLY-UHFFFAOYSA-N`

📖 Product Overview

[2-(4-chloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride (CAS: 77791-57-2) is a chemical compound with molecular formula C15H26Cl3N3O and molecular weight 370.7 g/mol. Its IUPAC systematic name is [2-(4-chloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride. Topological Polar Surface Area 38.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 8 Exact Mass 369.11414 Heavy Atoms 22 Complexity 276.0 InChI Key: YTIHHGOCUSWTLY-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)NC1=CC=C(C=C1)Cl.[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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