Iocetamic Acid
[CAS# 16034-77-8]

Identification

• Name: Iocetamic Acid
• Synonyms: 3-[Acetyl-(3-Amino-2,4,6-Triiodo-Phenyl)Amino]-2-Methyl-Propanoic Acid; 3-[Acetyl-(3-Amino-2,4,6-Triiodo-Phenyl)Amino]-2-Methyl-Propionic Acid; 3-[(3-Amino-2,4,6-Triiodo-Phenyl)-Ethanoyl-Amino]-2-Methyl-Propanoic Acid
• Molecular Formula: C₁₂H₁₃I₃N₂O₃
• Molecular Weight: 613.96
• CAS Registry Number: 16034-77-8
• EINECS: 240-173-1
• SMILES: C1=C(C(=C(C(=C1I)N(CC(C(O)=O)C)C(C)=O)I)N)I
• InChI: 1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)
• InChIKey: GSVQIUGOUKJHRC-UHFFFAOYSA-N

Properties

• Density: 2.4±0.1g/cm³ (Cal.)
• Boiling point: 658.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 351.9±31.5°C (Cal.)

Safety Data

• Safety Description: Safety glasses.