Diphenylamine, N-(3-dimethylaminopropyl)-2-methylthio-, hydrochloride

HCID 45926

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Basic information

CAS: 63979-58-8
Standard SMILES: CSc1ccccc1N(CCC[NH+](C)C)c1ccccc1.[Cl-]
InChIKey: KZLLWAFHYQHQJN-UHFFFAOYSA-N
Molecular formula: C18H25ClN2S
Average molar mass: 336.9 g/mol
Monoisotopic mass: 336.1426977

Names & identifiers

Preferred name: Diphenylamine, N-(3-dimethylaminopropyl)-2-methylthio-, hydrochloride
IUPAC: dimethyl-[3-(N-(2-methylsulfanylphenyl)anilino)propyl]azanium chloride

Names & synonyms

N-(gamma-Dimethylaminopropyl)-2-methyl thiodiphenylamine hydrochlorideDIPHENYLAMINE, N-(3-DIMETHYLAMINOPROPYL)-2-METHYLTHIO-, HYDROCHLORIDE63979-58-8RefChem:338971

Database identifiers

CAS: 63979-58-8
PubChem CID: 45926

Properties

Computed structural properties

Topological polar surface area: 33 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 276

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