N-[3-[(Hydroxyacetyl)Amino]-5-Methylaminocarbonyl-2,4,6-Triiodobenzoyl]Glycine
[CAS# 67227-35-4]

Identification

• Name: N-[3-[(Hydroxyacetyl)Amino]-5-Methylaminocarbonyl-2,4,6-Triiodobenzoyl]Glycine
• Synonyms: 2-[[[3-[(2-Hydroxy-1-Oxoethyl)Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]-Oxomethyl]Amino]Acetic Acid; 2-[[3-(Glycoloylamino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoyl]Amino]Acetic Acid; 2-[[3-(2-Hydroxyethanoylamino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbonylamino]Ethanoic Acid
• Molecular Formula: C₁₃H₁₂I₃N₃O₆
• Molecular Weight: 686.97
• CAS Registry Number: 67227-35-4
• SMILES: C(NC(C1=C(C(=C(C(=C1I)NC(CO)=O)I)C(NC)=O)I)=O)C(O)=O
• InChI: 1S/C13H12I3N3O6/c1-17-12(24)6-8(14)7(13(25)18-2-5(22)23)10(16)11(9(6)15)19-4(21)3-20/h20H,2-3H2,1H3,(H,17,24)(H,18,25)(H,19,21)(H,22,23)
• InChIKey: XMLNABQODRQUSO-UHFFFAOYSA-N

Properties

• Density: 2.47g/cm³ (Cal.)
• Boiling point: 624.707°C at 760 mmHg (Cal.)
• Flash point: 331.611°C (Cal.)