BENZENEETHANAMINE, 2,5-DIMETHOXY-N-METHYL-4-(PENTYLTHIO)-, (Z)-2-BUTEN EDIOATE (1:1)

CAS No.
129658-13-5
CCD No.
CCD00235415
Formula
C16 H27 N O2 S . C4 H4 O4
MolWeight
413.532

Basic Information

Product Name: BENZENEETHANAMINE, 2,5-DIMETHOXY-N-METHYL-4-(PENTYLTHIO)-, (Z)-2-BUTEN EDIOATE (1:1)
CAS: 129658-13-5
English Synonyms: BENZENEETHANAMINE, 2,5-DIMETHOXY-N-METHYL-4-(PENTYLTHIO)-, (Z)-2-BUTEN EDIOATE (1:1)
MDL Number.: MFCD01657177
H bond acceptor: 3
H bond donor: 1
Smile: CCCCCSc1cc(c(cc1OC)CCNC)OC.C(=C\C(=O)O)\C(=O)O
InChi: InChI=1S/C16H27NO2S.C4H4O4/c1-5-6-7-10-20-16-12-14(18-3)13(8-9-17-2)11-15(16)19-4;5-3(6)1-2-4(7)8/h11-12,17H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChiKey: InChIKey=XWIXDAQCAHECQM-BTJKTKAUSA-N

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