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

HCID 59360

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Basic information

CAS: 102489-45-2
Standard SMILES: CC[NH+](CC)CC[NH+](CC(=O)Nc1c(C)cccc1Cl)Cc1ccccc1.[Cl-].[Cl-]
InChIKey: ZRYALCUWWLVYFO-UHFFFAOYSA-N
Molecular formula: C22H32Cl3N3O
Average molar mass: 460.9 g/mol
Monoisotopic mass: 459.161096

Names & identifiers

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

Names & synonyms

102489-45-2o-Acetotoluidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-6'-chloro-, dihydrochlorideRefChem:1093587C 52962-(Benzyl(2-(diethylamino)ethyl)amino)-6'-chloro-o-acetotoluidide dihydrochloride

Database identifiers

CAS: 102489-45-2
PubChem CID: 59360

Properties

Computed structural properties

Topological polar surface area: 38 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 29
Formal charge: 0
Complexity: 424

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