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

HCID 59362

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Basic information

CAS: 102489-46-3
Standard SMILES: CC[NH+](CC)CC[NH+](CC(=O)Nc1ccccc1C)Cc1ccccc1.[Cl-].[Cl-]
InChIKey: TUEWSVFVCRPCRM-UHFFFAOYSA-N
Molecular formula: C22H33Cl2N3O
Average molar mass: 426.4 g/mol
Monoisotopic mass: 425.2000681

Names & identifiers

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

Names & synonyms

102489-46-3o-ACETOTOLUIDIDE, 2-(BENZYL(2-(DIETHYLAMINO)ETHYL)AMINO)-, DIHYDROCHLORIDERefChem:1093586C 53512-(Benzyl(2-(diethylamino)ethyl)amino)-o-acetotoluidide dihydrochloride

Database identifiers

CAS: 102489-46-3
PubChem CID: 59362

Properties

Computed structural properties

Topological polar surface area: 38 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 391

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