3-[3-(Carbamoylmethyl)-2,4,6-Triiodo-Phenyl]Propanoic Acid
[CAS# 1456-51-5]

Identification

• Name: 3-[3-(Carbamoylmethyl)-2,4,6-Triiodo-Phenyl]Propanoic Acid
• Synonyms: 3-[3-(2-Amino-2-Oxo-Ethyl)-2,4,6-Triiodo-Phenyl]Propanoic Acid; 3-[3-(2-Amino-2-Keto-Ethyl)-2,4,6-Triiodo-Phenyl]Propionic Acid; Acido 3-Acetilamino-2,4,6-Triiodofenilpropionico [Italian]
• Molecular Formula: C₁₁H₁₀I₃NO₃
• Molecular Weight: 584.92
• CAS Registry Number: 1456-51-5
• SMILES: C1=C(C(=C(C(=C1I)CCC(O)=O)I)CC(N)=O)I
• InChI: 1S/C11H10I3NO3/c12-7-4-8(13)6(3-9(15)16)11(14)5(7)1-2-10(17)18/h4H,1-3H2,(H2,15,16)(H,17,18)
• InChIKey: WVKMPQHDQHWOKE-UHFFFAOYSA-N

Properties

• Density: 2.508g/cm³ (Cal.)
• Boiling point: 633.975°C at 760 mmHg (Cal.)
• Flash point: 337.216°C (Cal.)