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

Introduction：Basic information about 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide CAS 76801-93-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

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

• Product Name: 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
• Synonyms: 5-AMino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenediforMaMide;5-aMino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzendicarboxaMide;Iohexol Related CoMpound B;Ioversol Related CoMpound A;5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;Ioversol impurity;1,3-BenzenedicarboxaMide,5-aMino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-;5-AMINO-N,N'-BIS-(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE
• CAS: 76801-93-9
• MF: C14H18I3N3O6
• MW: 705.02
• EINECS: 474-080-4
• Product Categories: Aromatics;Isotope Labelled Compounds;Labeling and Diagnostics Reagents;Intermediate of Ioversol
• Mol File: 76801-93-9.mol

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
• Major Application: pharmaceutical
• 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

• WGK Germany: WGK 3
• HS Code: 2924296000
• Storage Class: 11 - Combustible Solids

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 Preparation Products And Raw materials

• Preparation Products: IOMEPROL-->5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide