Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide

[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide

CAS: 4677-60-5

Molecular Formula	`C21H27BrClN3O2`
Molecular Weight	468.8 g/mol
Topological Polar Surface Area	58.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	467.09753
Heavy Atoms	28
Complexity	516.0

Chemical Identifiers

CAS Number	4677-60-5
SMILES	`CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.[Br-]`
InChIKey	`RXBYCKQMMVFWAC-UHFFFAOYSA-N`

📖 Product Overview

Ammonium, (((6-chloro-o-tolyl)carbamoyl)methyl)dimethyl((2,6-xylylcarbamoyl)methyl)-, bromide (CAS: 4677-60-5) is a chemical compound with molecular formula C21H27BrClN3O2 and molecular weight 468.8 g/mol. Its IUPAC systematic name is [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide. Topological Polar Surface Area 58.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 467.09753 Heavy Atoms 28 Complexity 516.0 InChI Key: RXBYCKQMMVFWAC-UHFFFAOYSA-N. SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.[Br-].

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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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