2-[3-(N-Methylacetylamino)-2,4,6-Triiodophenoxy]Butyric Acid
[CAS# 13080-23-4]

Identification

• Name: 2-[3-(N-Methylacetylamino)-2,4,6-Triiodophenoxy]Butyric Acid
• Synonyms: 2-[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Phenoxy]Butanoic Acid; 2-[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Phenoxy]Butyric Acid; 2-[3-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Phenoxy]Butanoic Acid
• Molecular Formula: C₁₃H₁₄I₃NO₄
• Molecular Weight: 628.97
• CAS Registry Number: 13080-23-4
• SMILES: C1=C(C(=C(C(=C1I)OC(C(O)=O)CC)I)N(C(C)=O)C)I
• InChI: 1S/C13H14I3NO4/c1-4-9(13(19)20)21-12-8(15)5-7(14)11(10(12)16)17(3)6(2)18/h5,9H,4H2,1-3H3,(H,19,20)
• InChIKey: SEPSYIXFWLWAQJ-UHFFFAOYSA-N

Properties

• Density: 2.281g/cm³ (Cal.)
• Boiling point: 623.293°C at 760 mmHg (Cal.)
• Flash point: 330.756°C (Cal.)