2-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Acetic Acid
[CAS# 22708-43-6]

Identification

• Name: 2-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Acetic Acid
• Synonyms: 2-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Acetic Acid; 2-[4-[[[3-(Acetyl-Ethylamino)-2,4,6-Triiodophenyl]-Oxomethyl]Amino]Phenyl]Acetic Acid; 2-[4-[[3-(Ethanoyl-Ethyl-Amino)-2,4,6-Triiodo-Phenyl]Carbonylamino]Phenyl]Ethanoic Acid
• Molecular Formula: C₁₉H₁₇I₃N₂O₄
• Molecular Weight: 718.07
• CAS Registry Number: 22708-43-6
• SMILES: C1=CC(=CC=C1CC(=O)O)NC(C2=C(C=C(C(=C2I)N(C(C)=O)CC)I)I)=O
• InChI: 1S/C19H17I3N2O4/c1-3-24(10(2)25)18-14(21)9-13(20)16(17(18)22)19(28)23-12-6-4-11(5-7-12)8-15(26)27/h4-7,9H,3,8H2,1-2H3,(H,23,28)(H,26,27)
• InChIKey: NBODXVLPLLJALV-UHFFFAOYSA-N

Properties

• Density: 2.175g/cm³ (Cal.)
• Boiling point: 669.006°C at 760 mmHg (Cal.)
• Flash point: 358.402°C (Cal.)