4-[Methyl-(2,4,6-Triiodo-3-Propoxyphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 37938-64-0]

Identification

• Name: 4-[Methyl-(2,4,6-Triiodo-3-Propoxyphenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[Methyl-(2,4,6-Triiodo-3-Propoxy-Phenyl)Amino]-4-Oxo-Butanoic Acid; 4-Keto-4-[Methyl-(2,4,6-Triiodo-3-Propoxy-Phenyl)Amino]Butyric Acid; Brn 3009635
• Molecular Formula: C₁₄H₁₆I₃NO₄
• Molecular Weight: 643.00
• CAS Registry Number: 37938-64-0
• SMILES: C1=C(C(=C(C(=C1I)N(C(CCC(=O)O)=O)C)I)OCCC)I
• InChI: 1S/C14H16I3NO4/c1-3-6-22-14-9(16)7-8(15)13(12(14)17)18(2)10(19)4-5-11(20)21/h7H,3-6H2,1-2H3,(H,20,21)
• InChIKey: XOBYLEDTTFEIGW-UHFFFAOYSA-N

Properties

• Density: 2.203g/cm³ (Cal.)
• Boiling point: 634.759°C at 760 mmHg (Cal.)
• Flash point: 337.69°C (Cal.)