CAS 122731-74-2

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]benzoic acid

Description:

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]benzoic acid, with the CAS number 122731-74-2, is an organic compound characterized by its complex structure, which includes an amino group, a carboxylic acid, and a hydroxyl group. This compound features a benzoic acid backbone, which is substituted at the 3 and 5 positions with an amino group and a side chain containing a dihydroxypropyl moiety. The presence of the amino and hydroxyl groups suggests that it may exhibit both basic and acidic properties, making it potentially useful in various biochemical applications. Its solubility in polar solvents is likely due to the hydroxyl groups, which can form hydrogen bonds. Additionally, the compound may participate in various chemical reactions, including acylation and amination, and could serve as a building block in the synthesis of more complex molecules. Its biological activity, if any, would depend on the specific interactions of its functional groups with biological targets. Overall, this compound's unique structure positions it as a candidate for further research in medicinal chemistry and related fields.

Formula: C₁₁H₁₆ClN₃O₄

InChI: InChI=1S/C11H14N2O5/c12-8-2-6(1-7(3-8)11(17)18)10(16)13-4-9(15)5-14/h1-3,9,14-15H,4-5,12H2,(H,13,16)(H,17,18)

InChI key: InChIKey=HDHVSQHIQCMRTO-UHFFFAOYSA-N

SMILES: C(NCC(CO)O)(=O)C1=CC(C(O)=O)=CC(N)=C1

Synonyms:

• Benzoic acid, 3-amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-
• 3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]benzoic acid
• 5-AMino-N1-(2,3-dihydroxypropyl)isophthalaMide hydrochloride
• 5-AMINO-N-(2,3-DIHYDROXY-1-PROPYL)-ISOPHTHALAMIDE HYDROCHLORIDE

Iohexol Impurity 12

CAS: 122731-74-2

Formula: C₁₁H₁₄N₂O₅

Molecular weight: 254.24

Ref: 4Z-I-3733