2-[[3-(N-Ethylbutanoylamino)-2,4,6-Triiodophenyl]Oxy]Hexanoic Acid
[CAS# 22275-42-9]

Identification

• Name: 2-[[3-(N-Ethylbutanoylamino)-2,4,6-Triiodophenyl]Oxy]Hexanoic Acid
• Synonyms: 2-[3-(Butanoyl-Ethyl-Amino)-2,4,6-Triiodo-Phenoxy]Hexanoic Acid; 2-[3-(Ethyl-(1-Oxobutyl)Amino)-2,4,6-Triiodophenoxy]Hexanoic Acid; 2-[3-(Butyryl-Ethyl-Amino)-2,4,6-Triiodo-Phenoxy]Hexanoic Acid
• Molecular Formula: C₁₈H₂₄I₃NO₄
• Molecular Weight: 699.11
• CAS Registry Number: 22275-42-9
• SMILES: C1=C(C(=C(C(=C1I)OC(CCCC)C(O)=O)I)N(C(CCC)=O)CC)I
• InChI: 1S/C18H24I3NO4/c1-4-7-9-13(18(24)25)26-17-12(20)10-11(19)16(15(17)21)22(6-3)14(23)8-5-2/h10,13H,4-9H2,1-3H3,(H,24,25)
• InChIKey: CLPVQYCTFRKKFM-UHFFFAOYSA-N

Properties

• Density: 1.951g/cm³ (Cal.)
• Boiling point: 655.212°C at 760 mmHg (Cal.)
• Flash point: 350.06°C (Cal.)