2-Ethyl-3-(3-Propionylamino-2,4,6-Triiodophenyl)Propanoic Acid Sodium Salt
[CAS# 69382-16-7]

Identification

• Name: 2-Ethyl-3-(3-Propionylamino-2,4,6-Triiodophenyl)Propanoic Acid Sodium Salt
• Synonyms: Sodium 2-[[2,4,6-Triiodo-3-(1-Oxopropylamino)Phenyl]Methyl]Butanoate; Sodium 2-(2,4,6-Triiodo-3-Propionamido-Benzyl)Butyrate; Hydrocinnamic Acid, Alpha-Ethyl-3-Propionamido-2,4,6-Triiodo-, Sodium Salt
• Molecular Formula: C₁₄H₁₅I₃NNaO₃
• Molecular Weight: 648.98
• CAS Registry Number: 69382-16-7
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C([O-])=O)CC)NC(=O)CC.[Na+]
• InChI: 1S/C14H16I3NO3.Na/c1-3-7(14(20)21)5-8-9(15)6-10(16)13(12(8)17)18-11(19)4-2;/h6-7H,3-5H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1
• InChIKey: JWTDQMZNYKKRHR-UHFFFAOYSA-M

Properties

• Boiling point: 601.8°C at 760 mmHg (Cal.)
• Flash point: 317.8°C (Cal.)