94994-25-9 Purity
96%
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Specification
The molecular formula is C18H22ClNO2.
The synonyms are 2-[Benzyl(2-hydroxyethyl)amino]propiophenone Hydrochloride, 94997-04-3, and 2-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one;hydrochloride.
The molecular weight is 319.8 g/mol.
The parent compound is CID 62116510 (2-[Benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one).
The component compounds are CID 313 (Hydrochloric Acid) and CID 62116510 (2-[Benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one).
The IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one;hydrochloride.
The InChI is InChI=1S/C18H21NO2.ClH/c1-15(18(21)17-10-6-3-7-11-17)19(12-13-20)14-16-8-4-2-5-9-16;/h2-11,15,20H,12-14H2,1H3;1H.
The InChIKey is PXCKNKVLYTYPKD-UHFFFAOYSA-N.
The canonical SMILES is CC(C(=O)C1=CC=CC=C1)N(CCO)CC2=CC=CC=C2.Cl.
The CAS number is 94997-04-3.