o-Acetotoluidide, 5'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride

HCID 53891

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Basic information

CAS: 77966-44-0
Standard SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)Nc1cc(Cl)ccc1C.[Cl-].[Cl-]
InChIKey: INSVAULNJILYCH-UHFFFAOYSA-N
Molecular formula: C16H28Cl3N3O
Average molar mass: 384.8 g/mol
Monoisotopic mass: 383.129796

Names & identifiers

Preferred name: o-Acetotoluidide, 5'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride
IUPAC: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride

Names & synonyms

77966-44-0o-Acetotoluidide, 5'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochlorideRefChem:1093595C 54025'-Chloro-2-(2-(diethylamino)ethyl)methylamino-o-acetotoluidide dihydrochloride

Database identifiers

CAS: 77966-44-0
PubChem CID: 53891

Properties

Computed structural properties

Topological polar surface area: 38 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 310

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