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PubChem CID 9899562
The molecular formula is C13H20ClNO.
The synonyms include rac erythro-Dihydro Bupropion, 292055-72-2, and 99102-04-2.
The molecular weight is 241.76 g/mol.
It was created on October 25, 2006.
The IUPAC name is (1R,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.
The InChI is InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12-/m0/s1.
The InChIKey is NDPTTXIBLSWNSF-CABZTGNLSA-N.
The canonical SMILES is CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C.
The computed XLogP3-AA value is 2.7.
99-09-4
99099-78-2
991-01-5
99102-22-4
99102-25-7
99102-31-5
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