4-[Ethyl-(2,4,6-Triiodo-3-Methylaminophenyl)Amino]-4-Oxobutanoic Acid
[CAS# 37863-70-0]

Identification

• Name: 4-[Ethyl-(2,4,6-Triiodo-3-Methylaminophenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[Ethyl-(2,4,6-Triiodo-3-Methylamino-Phenyl)Amino]-4-Oxo-Butanoic Acid; 4-[Ethyl-(2,4,6-Triiodo-3-Methylamino-Phenyl)Amino]-4-Keto-Butyric Acid; 4-(Ethyl(2,4,6-Triiodo-3-(Methylamino)Phenyl)Amino)-4-Oxobutanoic Acid
• Molecular Formula: C₁₃H₁₅I₃N₂O₃
• Molecular Weight: 627.99
• CAS Registry Number: 37863-70-0
• SMILES: C1=C(C(=C(C(=C1I)N(C(CCC(O)=O)=O)CC)I)NC)I
• InChI: 1S/C13H15I3N2O3/c1-3-18(9(19)4-5-10(20)21)13-8(15)6-7(14)12(17-2)11(13)16/h6,17H,3-5H2,1-2H3,(H,20,21)
• InChIKey: IGSPYLOKMDUVEX-UHFFFAOYSA-N

Properties

• Density: 2.318g/cm³ (Cal.)
• Boiling point: 657.688°C at 760 mmHg (Cal.)
• Flash point: 351.557°C (Cal.)