2-Ethyl-3-(3-Formylamino-2,4,6-Triiodophenyl)Propanoic Acid
[CAS# 69382-14-5]

Identification

• Name: 2-Ethyl-3-(3-Formylamino-2,4,6-Triiodophenyl)Propanoic Acid
• Synonyms: 2-[(3-Formamido-2,4,6-Triiodo-Phenyl)Methyl]Butanoic Acid; 2-(3-Formamido-2,4,6-Triiodo-Benzyl)Butyric Acid; Alpha-Ethyl-3-(Formamido)-2,4,6-Triiodohydrocinnamic Acid
• Molecular Formula: C₁₂H₁₂I₃NO₃
• Molecular Weight: 598.95
• CAS Registry Number: 69382-14-5
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C(=O)O)CC)NC=O
• InChI: 1S/C12H12I3NO3/c1-2-6(12(18)19)3-7-8(13)4-9(14)11(10(7)15)16-5-17/h4-6H,2-3H2,1H3,(H,16,17)(H,18,19)
• InChIKey: TVEIMBJZPFOAOO-UHFFFAOYSA-N

Properties

• Density: 2.398g/cm³ (Cal.)
• Boiling point: 623.244°C at 760 mmHg (Cal.)
• Flash point: 330.726°C (Cal.)