| Identification | More | [Name]
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide | [CAS]
76801-93-9 | [Synonyms]
5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
5-AMINO-N,N'-BIS-(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE
IOHEXOL INTERMEDIATE
5-Amino-N,N-Bis-(2,3-Dihydroxypropyl)-2,4,6-Triiodo-M-Phthalamide
5-Amino-2,4,6-Triiodo-N,NBis(2,3-Dihydroxypropyl)-1,3-Benzenedicarbolamide
5-AMINO-2,4,6-TRIIODO-N,N''-BIS(2,3-DIHYDROXYPROPYL)-1,3-BENZENEDICARBOXAMIDE
5-( ACETYLAMIDO) C N,N'' C BIS (2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE | [EINECS(EC#)]
1312995-182-4 | [Molecular Formula]
C14H18I3N3O6 | [MDL Number]
MFCD08063355 | [Molecular Weight]
705.02 | [MOL File]
76801-93-9.mol |
| Chemical Properties | Back Directory | [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) | [form ]
neat | [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) |
| Hazard Information | Back Directory | [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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|