BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(PENTYLTHIO)-, (Z)-2-BUTENEDIOATE (1:1)

CAS No.
129658-10-2
CCD No.
CCD00235416
Formula
C15 H25 N O2 S . C4 H4 O4
MolWeight
399.505

Basic Information

Product Name: BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(PENTYLTHIO)-, (Z)-2-BUTENEDIOATE (1:1)
CAS: 129658-10-2
English Synonyms: BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(PENTYLTHIO)-, (Z)-2-BUTENEDIOATE (1:1)
MDL Number.: MFCD01657184
H bond acceptor: 3
H bond donor: 1
Smile: CCCCCSc1cc(c(cc1OC)CCN)OC.C(=C\C(=O)O)\C(=O)O
InChi: InChI=1S/C15H25NO2S.C4H4O4/c1-4-5-6-9-19-15-11-13(17-2)12(7-8-16)10-14(15)18-3;5-3(6)1-2-4(7)8/h10-11H,4-9,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChiKey: InChIKey=BUIMMXSYSWNWBW-BTJKTKAUSA-N

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