2-Ethyl-3-(3-Valerylamino-2,4,6-Triiodophenyl)Propanoic Acid Sodium Salt
[CAS# 69382-17-8]

Identification

• Name: 2-Ethyl-3-(3-Valerylamino-2,4,6-Triiodophenyl)Propanoic Acid Sodium Salt
• Synonyms: Sodium 2-[[2,4,6-Triiodo-3-(1-Oxopentylamino)Phenyl]Methyl]Butanoate; Sodium 2-[2,4,6-Triiodo-3-(Valerylamino)Benzyl]Butyrate; Hydrocinnamic Acid, Alpha-Ethyl-2,4,6-Triiodo-3-Valeramido-, Sodium Salt
• Molecular Formula: C₁₆H₁₉I₃NNaO₃
• Molecular Weight: 677.03
• CAS Registry Number: 69382-17-8
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C([O-])=O)CC)NC(=O)CCCC.[Na+]
• InChI: 1S/C16H20I3NO3.Na/c1-3-5-6-13(21)20-15-12(18)8-11(17)10(14(15)19)7-9(4-2)16(22)23;/h8-9H,3-7H2,1-2H3,(H,20,21)(H,22,23);/q;+1/p-1
• InChIKey: UHGPPGPIYMXNGS-UHFFFAOYSA-M

Properties

• Boiling point: 616°C at 760 mmHg (Cal.)
• Flash point: 326.3°C (Cal.)