2-[[3-(N-Methylpropanoylamino)-2,4,6-Triiodophenyl]Oxy]Hexanoic Acid
[CAS# 24340-27-0]

Identification

• Name: 2-[[3-(N-Methylpropanoylamino)-2,4,6-Triiodophenyl]Oxy]Hexanoic Acid
• Synonyms: 2-[2,4,6-Triiodo-3-(Methyl-Propanoyl-Amino)Phenoxy]Hexanoic Acid; 2-[2,4,6-Triiodo-3-(Methyl-(1-Oxopropyl)Amino)Phenoxy]Hexanoic Acid; 2-[2,4,6-Triiodo-3-(Methyl-Propionyl-Amino)Phenoxy]Hexanoic Acid
• Molecular Formula: C₁₆H₂₀I₃NO₄
• Molecular Weight: 671.05
• CAS Registry Number: 24340-27-0
• SMILES: C1=C(C(=C(C(=C1I)OC(CCCC)C(O)=O)I)N(C(CC)=O)C)I
• InChI: 1S/C16H20I3NO4/c1-4-6-7-11(16(22)23)24-15-10(18)8-9(17)14(13(15)19)20(3)12(21)5-2/h8,11H,4-7H2,1-3H3,(H,22,23)
• InChIKey: KUIXXSYZPPSFJG-UHFFFAOYSA-N

Properties

• Density: 2.063g/cm³ (Cal.)
• Boiling point: 641.199°C at 760 mmHg (Cal.)
• Flash point: 341.585°C (Cal.)