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

HCID 53879

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Basic information

CAS: 77966-34-8
Standard SMILES: CC[NH+](CC)CCC[NH+](CC(=O)Nc1ccccc1C)Cc1ccccc1.[Cl-].[Cl-]
InChIKey: SXTXESFRBPRIOT-UHFFFAOYSA-N
Molecular formula: C23H35Cl2N3O
Average molar mass: 440.4 g/mol
Monoisotopic mass: 439.2157181

Names & identifiers

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

Names & synonyms

77966-34-8o-ACETOTOLUIDIDE, 2-(BENZYL(3-(DIETHYLAMINO)PROPYL)AMINO)-,DIHYDROCHLORIDERefChem:10935882-(Benzyl(3-(diethylamino)propyl)amino)-o-acetotoluidide, dihydrochlorideC 5353

Database identifiers

CAS: 77966-34-8
PubChem CID: 53879

Properties

Computed structural properties

Topological polar surface area: 38 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 29
Formal charge: 0
Complexity: 404

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