2-Ethyl-3-(3-Acetylamino-2,4,6-Triiodophenyl)Propanoic Acid
[CAS# 51374-99-3]

Identification

• Name: 2-Ethyl-3-(3-Acetylamino-2,4,6-Triiodophenyl)Propanoic Acid
• Synonyms: 2-[(3-Acetamido-2,4,6-Triiodo-Phenyl)Methyl]Butanoic Acid; 2-(3-Acetamido-2,4,6-Triiodo-Benzyl)Butyric Acid; 3-Acetamido-Alpha-Ethyl-2,4,6-Triiodohydrocinnamic Acid
• Molecular Formula: C₁₃H₁₄I₃NO₃
• Molecular Weight: 612.97
• CAS Registry Number: 51374-99-3
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C(=O)O)CC)NC(=O)C
• InChI: 1S/C13H14I3NO3/c1-3-7(13(19)20)4-8-9(14)5-10(15)12(11(8)16)17-6(2)18/h5,7H,3-4H2,1-2H3,(H,17,18)(H,19,20)
• InChIKey: VIWQRTRTPHAESA-UHFFFAOYSA-N

Properties

• Density: 2.304g/cm³ (Cal.)
• Boiling point: 595.422°C at 760 mmHg (Cal.)
• Flash point: 313.9°C (Cal.)