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Iohexol

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Identification
Molecular formula
C19H26I3N3O9
CAS number
66108-95-0
IUPAC name
2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]butanoic acid
State
State

Iohexol is solid at room temperature, typically existing as a crystalline powder.

Melting point (Celsius)
172.00
Melting point (Kelvin)
445.15
Boiling point (Celsius)
370.00
Boiling point (Kelvin)
643.15
General information
Molecular weight
821.14g/mol
Molar mass
821.1400g/mol
Density
2.0339g/cm3
Appearence
Iohexol typically appears as a white to off-white crystalline powder. It is odorless and has a slightly bitter taste. This compound is hygroscopic and should be stored in a tightly sealed container to protect it from moisture.
Comment on solubility

Solubility of 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]butanoic acid

The solubility of 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]butanoic acid can be characterized through several important aspects:

  • Polarity: The presence of both the acetyl group and the amino group contributes to the overall polarity of the molecule, potentially enhancing its solubility in polar solvents.
  • Iodine Substitution: The three iodine atoms in the structure may impart hydrophobic characteristics, which could limit solubility in water but possibly enhance solubility in organic solvents.
  • Hydrogen Bonding: The amino group may allow for hydrogen bonding with solvent molecules, which could further influence solubility in polar solvents.

In conclusion, the solubility of this complex compound is likely influenced by a balance of polar and nonpolar interactions. As a general guideline, it may show better solubility in organic solvents compared to water, particularly due to the substantial influence of the triiodo-phenyl group. However, specific solubility data would depend on experimental conditions.

Interesting facts

Interesting Facts about 2-[3-[Acetyl(methyl)amino]-2,4,6-triiodo-phenyl]butanoic Acid

The compound 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]butanoic acid is a fascinating member of the realm of organic chemistry, particularly due to its unique structure and potential applications. Here are some intriguing aspects worth exploring:

  • Unique Functional Groups: This compound features an array of functional groups, including an acetyl and an amine functional group, which significantly enhance its reactivity and properties.
  • Triiodinated Phenyl Ring: The presence of the triiodo-substituted phenyl group suggests interesting electronic properties and potential applications in contrast media in medical imaging, particularly in radiology.
  • Biological Implications: Compounds with iodine substitutions are often studied for their biological activity. They can be involved in various biochemical pathways and have been noted for their antibacterial and antifungal properties.
  • Synthesis and Reactions: The synthesis of such complex compounds often involves multi-step organic reactions, showcasing the versatility and ingenuity required in modern chemistry. The incorporation of iodine atoms typically involves halogenation strategies that can be quite intricate.
  • Potential Applications: Given its structural complexity, this compound might hold potential utility in drug design and development, particularly in targeting specific biological pathways due to its unique chemical features.

As one delves into the study of 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]butanoic acid, it becomes evident that every component of its molecular architecture plays a significant role in its overall functionality and usefulness in both laboratory settings and potential real-world applications.

“The study of compounds like this is not just an academic exercise; it’s a window into the complexities and capabilities of organic chemistry.”

Synonyms
BRN 3037691
23217-82-5
2-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)butyric acid
BUTYRIC ACID, 2-(3-(N-METHYLACETAMIDO)-2,4,6-TRIIODOPHENYL)-
RefChem:331243
DTXSID00945902
2-{3-[Acetyl(methyl)amino]-2,4,6-triiodophenyl}butanoic acid