[3-(N-Butylacetylamino)-2,4,6-Triiodophenyl]Acetic Acid
[CAS# 29193-36-0]

Identification

• Name: [3-(N-Butylacetylamino)-2,4,6-Triiodophenyl]Acetic Acid
• Synonyms: 2-[3-(Acetyl-Butyl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid; 2-[3-(Butyl-Ethanoyl-Amino)-2,4,6-Triiodo-Phenyl]Ethanoic Acid; (3-(N-Butylacetamido)-2,4,6-Triiodophenyl)Acetic Acid
• Molecular Formula: C₁₄H₁₆I₃NO₃
• Molecular Weight: 627.00
• CAS Registry Number: 29193-36-0
• SMILES: C1=C(C(=C(C(=C1I)CC(O)=O)I)N(CCCC)C(C)=O)I
• InChI: 1S/C14H16I3NO3/c1-3-4-5-18(8(2)19)14-11(16)7-10(15)9(13(14)17)6-12(20)21/h7H,3-6H2,1-2H3,(H,20,21)
• InChIKey: KVWIXFJNISBPOD-UHFFFAOYSA-N

Properties

• Density: 2.206g/cm³ (Cal.)
• Boiling point: 616.845°C at 760 mmHg (Cal.)
• Flash point: 326.856°C (Cal.)