2,4,6-Triiodo-3-(N-Methylacetylamino)Hydratropic Acid
[CAS# 23217-79-0]

Identification

• Name: 2,4,6-Triiodo-3-(N-Methylacetylamino)Hydratropic Acid
• Synonyms: 2-[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Propanoic Acid; 2-[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Propionic Acid; 2-[3-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Propanoic Acid
• Molecular Formula: C₁₂H₁₂I₃NO₃
• Molecular Weight: 598.95
• CAS Registry Number: 23217-79-0
• SMILES: C1=C(C(=C(C(=C1I)C(C(=O)O)C)I)N(C)C(=O)C)I
• InChI: 1S/C12H12I3NO3/c1-5(12(18)19)9-7(13)4-8(14)11(10(9)15)16(3)6(2)17/h4-5H,1-3H3,(H,18,19)
• InChIKey: CJGNNXCKYVIXSY-UHFFFAOYSA-N

Properties

• Density: 2.377g/cm³ (Cal.)
• Boiling point: 593.663°C at 760 mmHg (Cal.)
• Flash point: 312.836°C (Cal.)