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Specification
The molecular formula is C11H18ClN.
The synonyms are 148252-36-2, METHYL-(4-PHENYL-BUTYL)-AMINE HCL, (4-Phenylbutyl)methylamine, HCl, N-Methyl-4-phenylbutan-1-amine hydrochloride.
The molecular weight is 199.72 g/mol.
The parent compound is CID 409443 (1-(N-methylamino)-4-phenylbutane).
The component compounds are CID 409443 (1-(N-methylamino)-4-phenylbutane) and CID 313 (Hydrochloric Acid).
The IUPAC name is N-methyl-4-phenylbutan-1-amine hydrochloride.
The InChI is InChI=1S/C11H17N.ClH/c1-12-10-6-5-9-11-7-3-2-4-8-11;/h2-4,7-8,12H,5-6,9-10H2,1H3;1H.
The InChIKey is TVBSRDQPDKLCIE-UHFFFAOYSA-N.
The canonical SMILES is CNCCCCC1=CC=CC=C1.Cl.
The CAS number is 148252-36-2.