3-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Propanoic Acid
[CAS# 22708-45-8]

Identification

• Name: 3-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Propanoic Acid
• Synonyms: 3-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Propanoic Acid; 3-[4-[[[3-(Acetyl-Ethylamino)-2,4,6-Triiodophenyl]-Oxomethyl]Amino]Phenyl]Propanoic Acid; 3-[4-[[3-(Acetyl-Ethyl-Amino)-2,4,6-Triiodo-Benzoyl]Amino]Phenyl]Propionic Acid
• Molecular Formula: C₂₀H₁₉I₃N₂O₄
• Molecular Weight: 732.09
• CAS Registry Number: 22708-45-8
• SMILES: C1=C(C=CC(=C1)NC(C2=C(C=C(C(=C2I)N(C(=O)C)CC)I)I)=O)CCC(O)=O
• InChI: 1S/C20H19I3N2O4/c1-3-25(11(2)26)19-15(22)10-14(21)17(18(19)23)20(29)24-13-7-4-12(5-8-13)6-9-16(27)28/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,24,29)(H,27,28)
• InChIKey: XWTKEJJYSRRQPC-UHFFFAOYSA-N

Properties

• Density: 2.112g/cm³ (Cal.)
• Boiling point: 675.781°C at 760 mmHg (Cal.)
• Flash point: 362.5°C (Cal.)