2-[2,4,6-Triiodo-3-[N-Methyl(Acetyl)Amino]Phenyl]Butyric Acid
[CAS# 23217-82-5]

Identification

• Name: 2-[2,4,6-Triiodo-3-[N-Methyl(Acetyl)Amino]Phenyl]Butyric Acid
• Synonyms: 2-[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Butanoic Acid; 2-[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Butyric Acid; 2-[3-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Phenyl]Butanoic Acid
• Molecular Formula: C₁₃H₁₄I₃NO₃
• Molecular Weight: 612.97
• CAS Registry Number: 23217-82-5
• SMILES: C1=C(C(=C(C(=C1I)N(C(C)=O)C)I)C(C(O)=O)CC)I
• InChI: 1S/C13H14I3NO3/c1-4-7(13(19)20)10-8(14)5-9(15)12(11(10)16)17(3)6(2)18/h5,7H,4H2,1-3H3,(H,19,20)
• InChIKey: SKDCYRFSNRNKOS-UHFFFAOYSA-N

Properties

• Density: 2.283g/cm³ (Cal.)
• Boiling point: 599.199°C at 760 mmHg (Cal.)
• Flash point: 316.185°C (Cal.)