[2,4,6-Triiodo-3-(N-Methylbutyrylamino)Phenyl]Acetic Acid
[CAS# 29193-37-1]

Identification

• Name: [2,4,6-Triiodo-3-(N-Methylbutyrylamino)Phenyl]Acetic Acid
• Synonyms: 2-[3-(Butanoyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid; 2-[2,4,6-Triiodo-3-(Methyl-(1-Oxobutyl)Amino)Phenyl]Acetic Acid; 2-[3-(Butyryl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid
• Molecular Formula: C₁₃H₁₄I₃NO₃
• Molecular Weight: 612.97
• CAS Registry Number: 29193-37-1
• SMILES: C1=C(C(=C(C(=C1I)N(C(CCC)=O)C)I)CC(O)=O)I
• InChI: 1S/C13H14I3NO3/c1-3-4-10(18)17(2)13-9(15)6-8(14)7(12(13)16)5-11(19)20/h6H,3-5H2,1-2H3,(H,19,20)
• InChIKey: QCDXRJMPYFIKEH-UHFFFAOYSA-N

Properties

• Density: 2.29g/cm³ (Cal.)
• Boiling point: 611.223°C at 760 mmHg (Cal.)
• Flash point: 323.456°C (Cal.)