2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Propanoic Acid
[CAS# 22708-54-9]

Identification

• Name: 2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Propanoic Acid
• Synonyms: 2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Propanoic Acid; 2-[3-[[2-(3-Amino-2,4,6-Triiodophenyl)-1-Oxoethyl]Amino]Phenoxy]Propanoic Acid; 2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Propionic Acid
• Molecular Formula: C₁₇H₁₅I₃N₂O₄
• Molecular Weight: 692.03
• CAS Registry Number: 22708-54-9
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(=O)NC2=CC(=CC=C2)OC(C(=O)O)C)N
• InChI: 1S/C17H15I3N2O4/c1-8(17(24)25)26-10-4-2-3-9(5-10)22-14(23)6-11-12(18)7-13(19)16(21)15(11)20/h2-5,7-8H,6,21H2,1H3,(H,22,23)(H,24,25)
• InChIKey: OQKYWJIOYAJGBF-UHFFFAOYSA-N

Properties

• Density: 2.278g/cm³ (Cal.)
• Boiling point: 735.969°C at 760 mmHg (Cal.)
• Flash point: 398.9°C (Cal.)