o-Acetotoluidide, 5'-chloro-2-((3-methoxypropyl)amino)-, hydrochloride

HCID 60346

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Basic information

CAS: 109561-94-6
Standard SMILES: COCCC[NH2+]CC(=O)Nc1cc(Cl)ccc1C.[Cl-]
InChIKey: ITZJAINHPZCEBH-UHFFFAOYSA-N
Molecular formula: C13H20Cl2N2O2
Average molar mass: 307.21 g/mol
Monoisotopic mass: 306.0901833

Names & identifiers

Preferred name: o-Acetotoluidide, 5'-chloro-2-((3-methoxypropyl)amino)-, hydrochloride
IUPAC: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(3-methoxypropyl)azanium chloride

Names & synonyms

109561-94-65'-Chloro-2-((3-methoxypropyl)amino)-o-acetotoluidide hydrochlorideo-ACETOTOLUIDIDE, 5'-CHLORO-2-((3-METHOXYPROPYL)AMINO)-, HYDROCHLORIDERefChem:366334(5-chloro-2-methylphenyl)carbamoylmethyl-(3-methoxypropyl)azanium chloride[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(3-methoxypropyl)azanium;chloride(5-CHLORO-2-METHYL-PHENYL)CARBAMOYLMETHYL-(3-METHOXYPROPYL)AZANIUM CHL ORIDE

Database identifiers

CAS: 109561-94-6
PubChem CID: 60346

Properties

Computed structural properties

Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 251

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