[2,4,6-Triiodo-3-(N-Propylbutyrylamino)Phenyl]Acetic Acid
[CAS# 29193-39-3]

Identification

• Name: [2,4,6-Triiodo-3-(N-Propylbutyrylamino)Phenyl]Acetic Acid
• Synonyms: 2-[3-(Butanoyl-Propyl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid; 2-[2,4,6-Triiodo-3-(1-Oxobutyl-Propylamino)Phenyl]Acetic Acid; 2-[3-(Butyryl-Propyl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid
• Molecular Formula: C₁₅H₁₈I₃NO₃
• Molecular Weight: 641.03
• CAS Registry Number: 29193-39-3
• SMILES: C1=C(C(=C(C(=C1I)CC(O)=O)I)N(C(CCC)=O)CCC)I
• InChI: 1S/C15H18I3NO3/c1-3-5-12(20)19(6-4-2)15-11(17)8-10(16)9(14(15)18)7-13(21)22/h8H,3-7H2,1-2H3,(H,21,22)
• InChIKey: FZEYRCJCXPJRBH-UHFFFAOYSA-N

Properties

• Density: 2.131g/cm³ (Cal.)
• Boiling point: 623.057°C at 760 mmHg (Cal.)
• Flash point: 330.613°C (Cal.)