4-[3-(3-Amino-2,4,6-triiodobenzamido)phenyl]butyric acid
[CAS# 22708-53-8]

Identification

• Name: 4-[3-(3-Amino-2,4,6-triiodobenzamido)phenyl]butyric acid
• Synonyms: 4-[3-[(3-Amino-2,4,6-Triiodo-Benzoyl)Amino]Phenyl]Butanoic Acid; 4-[3-[[(3-Amino-2,4,6-Triiodophenyl)-Oxomethyl]Amino]Phenyl]Butanoic Acid; 4-[3-[(3-Amino-2,4,6-Triiodo-Benzoyl)Amino]Phenyl]Butyric Acid
• Molecular Formula: C₁₇H₁₅I₃N₂O₃
• Molecular Weight: 676.03
• CAS Registry Number: 22708-53-8
• SMILES: C1=C(I)C(=C(I)C(=C1I)C(=O)NC2=CC(=CC=C2)CCCC(=O)O)N
• InChI: 1S/C17H15I3N2O3/c18-11-8-12(19)16(21)15(20)14(11)17(25)22-10-5-1-3-9(7-10)4-2-6-13(23)24/h1,3,5,7-8H,2,4,6,21H2,(H,22,25)(H,23,24)
• InChIKey: XQLBKXTXLFNMAR-UHFFFAOYSA-N

Properties

• Density: 2.274g/cm³ (Cal.)
• Boiling point: 624.909°C at 760 mmHg (Cal.)
• Flash point: 331.733°C (Cal.)