N-(4-(((Carboxymethyl)Amino)Carbonyl)-2,3,5,6-Tetraiodobenzoyl)-N-(Phenylmethyl)Glycine
[CAS# 29779-64-4]

Identification

• Name: N-(4-(((Carboxymethyl)Amino)Carbonyl)-2,3,5,6-Tetraiodobenzoyl)-N-(Phenylmethyl)Glycine
• Synonyms: 2-[[4-(Carboxymethylcarbamoyl)-2,3,5,6-Tetraiodo-Benzoyl]-(Phenylmethyl)Amino]Acetic Acid; 2-[[[4-[(Carboxymethylamino)-Oxomethyl]-2,3,5,6-Tetraiodophenyl]-Oxomethyl]-(Phenylmethyl)Amino]Acetic Acid; 2-[Benzyl-[4-(Carboxymethylcarbamoyl)-2,3,5,6-Tetraiodo-Benzoyl]Amino]Acetic Acid
• Molecular Formula: C₁₉H₁₄I₄N₂O₆
• Molecular Weight: 873.95
• CAS Registry Number: 29779-64-4
• SMILES: C2=C(CN(C(=O)C1=C(I)C(=C(C(=C1I)I)C(=O)NCC(=O)O)I)CC(=O)O)C=CC=C2
• InChI: 1S/C19H14I4N2O6/c20-14-12(18(30)24-6-10(26)27)15(21)17(23)13(16(14)22)19(31)25(8-11(28)29)7-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,24,30)(H,26,27)(H,28,29)
• InChIKey: WXDVQIHUVTUFEC-UHFFFAOYSA-N

Properties

• Density: 2.453g/cm³ (Cal.)
• Boiling point: 807.854°C at 760 mmHg (Cal.)
• Flash point: 442.374°C (Cal.)