1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1)

pro_cas
72156-41-3
pro_cdbregno
CCD00253633
pro_formula
C11 H15 N O2 . C4 H4 O4
pro_molWeight
309.316

basic_info

Product_Name: 1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1)
CAS: 72156-41-3
EnglishSynonyms: 1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1)
pro_mdlNumber: MFCD01766301
pro_acceptors: 3
pro_donors: 1
pro_smile: CC(C)NCc1ccc2c(c1)OCO2.C(=C/C(=O)O)\C(=O)O
InChi: InChI=1S/C11H15NO2.C4H4O4/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;5-3(6)1-2-4(7)8/h3-5,8,12H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChiKey: InChIKey=JZHIMFGMRZHDTL-WLHGVMLRSA-N

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