2-[3-[(3-Amino-2,4,6-Triiodo-Benzoyl)Amino]Phenoxy]Hexanoic Acid
[CAS# 22708-42-5]

Identification

• Name: 2-[3-[(3-Amino-2,4,6-Triiodo-Benzoyl)Amino]Phenoxy]Hexanoic Acid
• Synonyms: 2-[3-[(3-Amino-2,4,6-Triiodo-Benzoyl)Amino]Phenoxy]Hexanoic Acid; 2-[3-[[(3-Amino-2,4,6-Triiodophenyl)-Oxomethyl]Amino]Phenoxy]Hexanoic Acid; 2-[3-[(3-Amino-2,4,6-Triiodo-Phenyl)Carbonylamino]Phenoxy]Hexanoic Acid
• Molecular Formula: C₁₉H₁₉I₃N₂O₄
• Molecular Weight: 720.08
• CAS Registry Number: 22708-42-5
• SMILES: C1=C(I)C(=C(I)C(=C1I)C(=O)NC2=CC(=CC=C2)OC(C(=O)O)CCCC)N
• InChI: 1S/C19H19I3N2O4/c1-2-3-7-14(19(26)27)28-11-6-4-5-10(8-11)24-18(25)15-12(20)9-13(21)17(23)16(15)22/h4-6,8-9,14H,2-3,7,23H2,1H3,(H,24,25)(H,26,27)
• InChIKey: RXLWPEWAIAKYJX-UHFFFAOYSA-N

Properties

• Density: 2.128g/cm³ (Cal.)
• Boiling point: 643.822°C at 760 mmHg (Cal.)
• Flash point: 343.171°C (Cal.)