3-[[N-(3-Hydroxy-2,4,6-Triiodophenyl)-N-Propylamino]Carbonyl]Propionic Acid
[CAS# 10515-72-7]

Identification

• Name: 3-[[N-(3-Hydroxy-2,4,6-Triiodophenyl)-N-Propylamino]Carbonyl]Propionic Acid
• Synonyms: 4-[(3-Hydroxy-2,4,6-Triiodo-Phenyl)-Propyl-Amino]-4-Oxo-Butanoic Acid; 4-[(3-Hydroxy-2,4,6-Triiodo-Phenyl)-Propyl-Amino]-4-Keto-Butyric Acid; N-Propyl-N-(2,4,6-Trijod-3-Hydroxyphenyl)-Succinamidsaeure [German]
• Molecular Formula: C₁₃H₁₄I₃NO₄
• Molecular Weight: 628.97
• CAS Registry Number: 10515-72-7
• SMILES: C1=C(C(=C(C(=C1I)N(C(CCC(=O)O)=O)CCC)I)O)I
• InChI: 1S/C13H14I3NO4/c1-2-5-17(9(18)3-4-10(19)20)12-7(14)6-8(15)13(21)11(12)16/h6,21H,2-5H2,1H3,(H,19,20)
• InChIKey: VSDUMHXFCUCZKA-UHFFFAOYSA-N

Properties

• Density: 2.361g/cm³ (Cal.)
• Boiling point: 602.886°C at 760 mmHg (Cal.)
• Flash point: 318.414°C (Cal.)