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31127-80-7

Name 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
CAS 31127-80-7
EINECS(EC#) 445-830-8
Molecular Formula C16H20I3N3O7
MDL Number MFCD08063354
Molecular Weight 747.06
MOL File 31127-80-7.mol
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Chemical Properties

Appearance Whitye To Off-White Solid
Melting point  274-276°C
Boiling point  746.1±60.0 °C(Predicted)
density  2.289±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Sparingly, Heated), Methanol (Slightly, Heated)
form  neat
pka 11.45±0.46(Predicted)
color  White to Off-White
Usage Imaging agent
Stability: Hygroscopic
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)
InChIKey BHCBLTRDEYPMFZ-UHFFFAOYSA-N
SMILES C1(C(NCC(O)CO)=O)=C(I)C(NC(C)=O)=C(I)C(C(NCC(O)CO)=O)=C1I
CAS DataBase Reference 31127-80-7(CAS DataBase Reference)

Safety Data

WGK Germany  WGK 3
HS Code  29242990
Storage Class 11 - Combustible Solids

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