1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, 2-HYDROXY-1,2,3-PR OPANETRICARBOXYLATE (3:1)

CAS No.
72156-44-6
CCD No.
CCD00252701
Formula
3 C11 H15 N O2 . C6 H8 O7
MolWeight
771.856

Basic Information

Product Name: 1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, 2-HYDROXY-1,2,3-PR OPANETRICARBOXYLATE (3:1)
CAS: 72156-44-6
English Synonyms: 1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, 2-HYDROXY-1,2,3-PR OPANETRICARBOXYLATE (3:1)
MDL Number.: MFCD01762385
H bond acceptor: 3
H bond donor: 1
Smile: CC(C)NCc1ccc2c(c1)OCO2.CC(C)NCc1ccc2c(c1)OCO2.CC(C)NCc1ccc2c(c1)OCO2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChi: InChI=1S/3C11H15NO2.C6H8O7/c3*1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*3-5,8,12H,6-7H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChiKey: InChIKey=MCOPQDHVTUNDJM-UHFFFAOYSA-N

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