4-Oxo-4-[Propyl-(2,4,6-Triiodo-3-Methoxyphenyl)Amino]Butanoic Acid
[CAS# 37938-78-6]

Identification

• Name: 4-Oxo-4-[Propyl-(2,4,6-Triiodo-3-Methoxyphenyl)Amino]Butanoic Acid
• Synonyms: 4-Oxo-4-[Propyl-(2,4,6-Triiodo-3-Methoxy-Phenyl)Amino]Butanoic Acid; 4-Keto-4-[Propyl-(2,4,6-Triiodo-3-Methoxy-Phenyl)Amino]Butyric Acid; Brn 3007508
• Molecular Formula: C₁₄H₁₆I₃NO₄
• Molecular Weight: 643.00
• CAS Registry Number: 37938-78-6
• SMILES: C1=C(C(=C(C(=C1I)N(C(CCC(=O)O)=O)CCC)I)OC)I
• InChI: 1S/C14H16I3NO4/c1-3-6-18(10(19)4-5-11(20)21)13-8(15)7-9(16)14(22-2)12(13)17/h7H,3-6H2,1-2H3,(H,20,21)
• InChIKey: INJFAIFVICOHIE-UHFFFAOYSA-N

Properties

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