(1S,2R)-ETHYL 2-((R)-1-PHENYLETHYLAMINO)CYCLOHEXANECARBOXYLATE 4-METHYLBENZENESULFONATE

CAS No.
1105703-25-0
CCD No.
CCD05428896
Formula
C17 H25 N O2 . C7 H8 O3 S
MolWeight
447.593

Basic Information

Product Name: (1S,2R)-ETHYL 2-((R)-1-PHENYLETHYLAMINO)CYCLOHEXANECARBOXYLATE 4-METHYLBENZENESULFONATE
CAS: 1105703-25-0
English Synonyms: (1S,2R)-ETHYL 2-((R)-1-PHENYLETHYLAMINO)CYCLOHEXANECARBOXYLATE 4-METHYLBENZENESULFONATE
MDL Number.: MFCD20265634
H bond acceptor: 3
H bond donor: 1
Smile: CCOC(=O)[C@H]1CCCC[C@H]1N[C@H](C)c2ccccc2.Cc1ccc(cc1)S(=O)(=O)O
InChi: InChI=1S/C17H25NO2.C7H8O3S/c1-3-20-17(19)15-11-7-8-12-16(15)18-13(2)14-9-5-4-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,9-10,13,15-16,18H,3,7-8,11-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/t13-,15+,16-;/m1./s1
InChiKey: InChIKey=JXNAFTKYZKXBNH-YFBGFLEQSA-N

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