5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide Chemical Properties

Melting point:

195°C (dec.)

Boiling point:

684.9±55.0 °C(Predicted)

Density 

2.386±0.06 g/cm3(Predicted)

vapor pressure 

0Pa at 25℃

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

DMSO (Slightly, Heated), Methanol (Slightly)

pka

11.58±0.46(Predicted)

color 

White to Off-White

Stability:

Hygroscopic

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

KAEGSAWWVYMWIQ-UHFFFAOYSA-N

SMILES

C1(C(NCC(O)CO)=O)=C(I)C(N)=C(I)C(C(NCC(O)CO)=O)=C1I

LogP

-1.81 at 23℃ and pH5.83

Surface tension

72.85mN/m at 1g/L and 20℃

CAS DataBase Reference

76801-93-9(CAS DataBase Reference)

Safety Information

HS Code 

2924296000

5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide Usage And Synthesis

Description

5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide is an experimental compound that is used in the industrial preparation of pharmaceuticals and agricultural chemicals. It has a molecular weight of 191.14 g/mol. The crystallization process involves the use of ethanol to create supersaturation and then cooling to induce crystallization. This compound can be synthesized by an iodination reaction with x-ray irradiation at low temperatures.

Chemical Properties

White to Off-White Solid.

Uses

Used as an intermediate in the industrial preparation of non-ionic X-ray contrast agents such as Iohexol (I729500), Ioversol (I737000), Ioxilan (I737500), Iopamidol (I735600).

References

[1] RONGVED P, KLAVENESS J, STRANDE P. Starch microspheres as carriers for X-ray imaging contrast agents: Synthesis and stability of new amino-acid linker derivatives[J]. Carbohydrate Research, 1997, 297: 325-331. DOI:10.1016/S0008-6215(96)00286-8.

5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide(76801-93-9)Related Product Information

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