o-Acetotoluidide, 3'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride

HCID 54006

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Basic information

CAS: 77984-94-2
Standard SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)Nc1cccc(Cl)c1C.[Cl-].[Cl-]
InChIKey: YHNWMYQYPWETMY-UHFFFAOYSA-N
Molecular formula: C16H28Cl3N3O
Average molar mass: 384.8 g/mol
Monoisotopic mass: 383.129796

Names & identifiers

Preferred name: o-Acetotoluidide, 3'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride
IUPAC: [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride

Names & synonyms

C 5397NSC 1206523'-Chloro-2-(2-(diethylamino)ethyl)methylamino-o-acetotoluidide dihydrochlorideo-Acetotoluidide, 3'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride77984-94-2Acetamide, N-(3-chloro-2-methylphenyl)-2-((2-(diethylamino)ethyl)methylamino)-, dihydrochlorideRefChem:366331Acetamide, N-(3-chloro-2-methylphenyl)-2-((2-(diethylamino)ethyl)methylamino)-, dihydrochloride (9CI)

Database identifiers

CAS: 77984-94-2
PubChem CID: 54006

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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