2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Butanoic Acid
[CAS# 22708-55-0]

Identification

• Name: 2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Butanoic Acid
• Synonyms: 2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Butanoic Acid; 2-[3-[[2-(3-Amino-2,4,6-Triiodophenyl)-1-Oxoethyl]Amino]Phenoxy]Butanoic Acid; 2-[3-[[2-(3-Amino-2,4,6-Triiodo-Phenyl)Acetyl]Amino]Phenoxy]Butyric Acid
• Molecular Formula: C₁₈H₁₇I₃N₂O₄
• Molecular Weight: 706.06
• CAS Registry Number: 22708-55-0
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(=O)NC2=CC(=CC=C2)OC(C(=O)O)CC)N
• InChI: 1S/C18H17I3N2O4/c1-2-14(18(25)26)27-10-5-3-4-9(6-10)23-15(24)7-11-12(19)8-13(20)17(22)16(11)21/h3-6,8,14H,2,7,22H2,1H3,(H,23,24)(H,25,26)
• InChIKey: ZDJNIHYAEHEKJB-UHFFFAOYSA-N

Properties

• Density: 2.205g/cm³ (Cal.)
• Boiling point: 738.891°C at 760 mmHg (Cal.)
• Flash point: 400.667°C (Cal.)