o-Acetotoluidide, 2-(benzyl(3-(diethylamino)propyl)amino)-6'-chloro-, dihydrochloride

HCID 53877

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Basic information

CAS: 77966-33-7
Standard SMILES: CC[NH+](CC)CCC[NH+](CC(=O)Nc1c(C)cccc1Cl)Cc1ccccc1.[Cl-].[Cl-]
InChIKey: ITIDRXCMEDDSKX-UHFFFAOYSA-N
Molecular formula: C23H34Cl3N3O
Average molar mass: 474.9 g/mol
Monoisotopic mass: 473.176746

Names & identifiers

Preferred name: o-Acetotoluidide, 2-(benzyl(3-(diethylamino)propyl)amino)-6'-chloro-, dihydrochloride
IUPAC: benzyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[3-(diethylazaniumyl)propyl]azanium dichloride

Names & synonyms

77966-33-7o-Acetotoluidide, 2-(benzyl(3-(diethylamino)propyl)amino)-6'-chloro-, dihydrochlorideRefChem:1093589C 53492-(Benzyl(3-(diethylamino)propyl)amino)-6'-chloro-o-acetotoluidide dihydrochloride

Database identifiers

CAS: 77966-33-7
PubChem CID: 53877

Properties

Computed structural properties

Topological polar surface area: 38 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 30
Formal charge: 0
Complexity: 438

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