N-(3-Methylcarbamoyl-5-Propionylamino-2,4,6-Triiodobenzoyl)Glycine
[CAS# 67227-37-6]

Identification

• Name: N-(3-Methylcarbamoyl-5-Propionylamino-2,4,6-Triiodobenzoyl)Glycine
• Synonyms: 2-[[Oxo-[2,4,6-Triiodo-3-(Methylcarbamoyl)-5-(1-Oxopropylamino)Phenyl]Methyl]Amino]Acetic Acid; 2-[[2,4,6-Triiodo-3-(Methylcarbamoyl)-5-Propionamido-Benzoyl]Amino]Acetic Acid; 2-[[2,4,6-Triiodo-3-(Methylcarbamoyl)-5-(Propanoylamino)Phenyl]Carbonylamino]Ethanoic Acid
• Molecular Formula: C₁₄H₁₄I₃N₃O₅
• Molecular Weight: 685.00
• CAS Registry Number: 67227-37-6
• SMILES: C(NC(C1=C(C(=C(C(=C1I)C(NC)=O)I)NC(CC)=O)I)=O)C(O)=O
• InChI: 1S/C14H14I3N3O5/c1-3-5(21)20-12-10(16)7(13(24)18-2)9(15)8(11(12)17)14(25)19-4-6(22)23/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)
• InChIKey: CISIBGUGYWFWDQ-UHFFFAOYSA-N

Properties

• Density: 2.306g/cm³ (Cal.)
• Boiling point: 593.324°C at 760 mmHg (Cal.)
• Flash point: 312.631°C (Cal.)