76350-09-9
5-AMINO-N,N'-BIS[2,3-BIS(ACETYLOXY)PROPYL]-2,4,6-TRIIODO-N-METHYL-1,3-BENZENEDICARBOXAMIDE
Name5-AMINO-N,N'-BIS[2,3-BIS(ACETYLOXY)PROPYL]-2,4,6-TRIIODO-N-METHYL-1,3-BENZENEDICARBOXAMIDE
1Identification
【Name】
5-AMINO-N,N'-BIS[2,3-BIS(ACETYLOXY)PROPYL]-2,4,6-TRIIODO-N-METHYL-1,3-BENZENEDICARBOXAMIDE
【CAS】
【MDL】
MFCD16251178
【English Synonyms】
【Formula】
C23 H28 I3 N3 O10
【MolWeight】
887.185
【Inchi】
InChI=1S/C23H28I3N3O10/c1-10(30)36-8-14(38-12(3)32)6-28-22(34)16-18(24)17(20(26)21(27)19(16)25)23(35)29(5)7-15(39-13(4)33)9-37-11(2)31/h14-15H,6-9,27H2,1-5H3,(H,28,34)
【InChIKey】
InChIKey=HEHGJKXXZCQSIS-UHFFFAOYSA-N
【SMILES】
CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C
【MOL File】
5-AMINO-N,N'-BIS[2,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:13
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-N,N'-BIS[2,3-BIS(ACETYLOXY)PROPYL]-2,4,6-TRIIODO-N-METHYL-1,3-BENZENEDICARBOXAMIDE.cml