2-[3-(N-Methylpropionylamino)-2,4,6-Triiodophenoxy]-2-Phenylacetic Acid
[CAS# 23189-36-8]

Identification

• Name: 2-[3-(N-Methylpropionylamino)-2,4,6-Triiodophenoxy]-2-Phenylacetic Acid
• Synonyms: 2-Phenyl-2-[2,4,6-Triiodo-3-(Methyl-Propanoyl-Amino)Phenoxy]Acetic Acid; 2-Phenyl-2-[2,4,6-Triiodo-3-(Methyl-(1-Oxopropyl)Amino)Phenoxy]Acetic Acid; 2-Phenyl-2-[2,4,6-Triiodo-3-(Methyl-Propionyl-Amino)Phenoxy]Acetic Acid
• Molecular Formula: C₁₈H₁₆I₃NO₄
• Molecular Weight: 691.04
• CAS Registry Number: 23189-36-8
• SMILES: C1=C(C(=C(C(=C1I)OC(C2=CC=CC=C2)C(O)=O)I)N(C(CC)=O)C)I
• InChI: 1S/C18H16I3NO4/c1-3-13(23)22(2)15-11(19)9-12(20)17(14(15)21)26-16(18(24)25)10-7-5-4-6-8-10/h4-9,16H,3H2,1-2H3,(H,24,25)
• InChIKey: RNFAMUAINAMCMY-UHFFFAOYSA-N

Properties

• Density: 2.157g/cm³ (Cal.)
• Boiling point: 685.516°C at 760 mmHg (Cal.)
• Flash point: 368.387°C (Cal.)