N-(2-Chloro-6-methylphenyl)-2-(dibutylamino)ethanimidic acid--hydrogen chloride (1/1)

HCID 53887

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Basic information

CAS: 77966-42-8
Standard SMILES: CCCC[NH+](CCCC)CC(=O)Nc1c(C)cccc1Cl.[Cl-]
InChIKey: JPDGTLUBDMGOAV-UHFFFAOYSA-N
Molecular formula: C17H28Cl2N2O
Average molar mass: 347.3 g/mol
Monoisotopic mass: 346.1578689

Names & identifiers

Preferred name: N-(2-Chloro-6-methylphenyl)-2-(dibutylamino)ethanimidic acid--hydrogen chloride (1/1)
IUPAC: dibutyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride

Names & synonyms

77966-42-8DTXSID80999160N-(2-Chloro-6-methylphenyl)-2-(dibutylamino)ethanimidic acid--hydrogen chloride (1/1)RefChem:1090988DTXCID701426135C 30726'-Chloro-2-(dibutylamino)-o-acetotoluidide, hydrochlorideo-ACETOTOLUIDIDE, 6'-CHLORO-2-(DIBUTYLAMINO)-, HYDROCHLORIDE

Database identifiers

CAS: 77966-42-8
PubChem CID: 53887

Properties

Computed structural properties

Topological polar surface area: 33.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 22
Formal charge: 0
Complexity: 291

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