[3-(N-Butylbutyrylamino)-2,4,6-Triiodophenyl]Acetic Acid
[CAS# 29193-40-6]

Identification

• Name: [3-(N-Butylbutyrylamino)-2,4,6-Triiodophenyl]Acetic Acid
• Synonyms: 2-[3-(Butanoyl-Butyl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid; 2-[3-(Butyl-(1-Oxobutyl)Amino)-2,4,6-Triiodophenyl]Acetic Acid; 2-[3-(Butyl-Butyryl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid
• Molecular Formula: C₁₆H₂₀I₃NO₃
• Molecular Weight: 655.05
• CAS Registry Number: 29193-40-6
• SMILES: C1=C(C(=C(C(=C1I)CC(O)=O)I)N(C(CCC)=O)CCCC)I
• InChI: 1S/C16H20I3NO3/c1-3-5-7-20(13(21)6-4-2)16-12(18)9-11(17)10(15(16)19)8-14(22)23/h9H,3-8H2,1-2H3,(H,22,23)
• InChIKey: ZNJQNTARWXIJLR-UHFFFAOYSA-N

Properties

• Density: 2.065g/cm³ (Cal.)
• Boiling point: 629.737°C at 760 mmHg (Cal.)
• Flash point: 334.653°C (Cal.)