Ioglicic Acid
[CAS# 49755-67-1]

Identification

• Name: Ioglicic Acid
• Synonyms: 3-Acetamido-2,4,6-Triiodo-5-[(2-Methylamino-2-Oxo-Ethyl)Carbamoyl]Benzoic Acid; 3-Acetamido-2,4,6-Triiodo-5-[[(2-Methylamino-2-Oxoethyl)Amino]-Oxomethyl]Benzoic Acid; 3-Acetamido-2,4,6-Triiodo-5-[(2-Keto-2-Methylamino-Ethyl)Carbamoyl]Benzoic Acid
• Molecular Formula: C₁₃H₁₂I₃N₃O₅
• Molecular Weight: 670.97
• CAS Registry Number: 49755-67-1
• EINECS: 256-470-4
• SMILES: C(NC(C1=C(C(=C(C(=C1I)NC(C)=O)I)C(O)=O)I)=O)C(NC)=O
• InChI: 1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(22)18-3-5(21)17-2)8(14)7(10(11)16)13(23)24/h3H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)
• InChIKey: HHFIATHHSBFCBY-UHFFFAOYSA-N

Properties

• Density: 2.392g/cm³ (Cal.)
• Boiling point: 648.421°C at 760 mmHg (Cal.)
• Flash point: 345.953°C (Cal.)