76801-93-9
5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
Name5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
1Identification
【Name】
5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
【CAS】
【MDL】
MFCD08063355
【English Synonyms】
【Formula】
C14 H18 I3 N3 O6
【MolWeight】
705.011
【Inchi】
InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
【InChIKey】
InChIKey=KAEGSAWWVYMWIQ-UHFFFAOYSA-N
【SMILES】
C(C(CO)O)NC(=O)c1c(c(c(c(c1I)N)I)C(=O)NCC(CO)O)I
【MOL File】
5-AMINO-N,N'-BIS(2,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE.cml