2-[N-[3-(Acetylamino)-2,4,6-Triiodo-5-(Methylaminocarbonyl)Benzoyl]-N-Methylamino]Acetic Acid
[CAS# 49755-86-4]

Identification

• Name: 2-[N-[3-(Acetylamino)-2,4,6-Triiodo-5-(Methylaminocarbonyl)Benzoyl]-N-Methylamino]Acetic Acid
• Synonyms: 2-[[3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoyl]-Methyl-Amino]Acetic Acid; 2-[[[3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]-Oxomethyl]-Methylamino]Acetic Acid; 2-[[3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbonyl-Methyl-Amino]Ethanoic Acid
• Molecular Formula: C₁₄H₁₄I₃N₃O₅
• Molecular Weight: 685.00
• CAS Registry Number: 49755-86-4
• SMILES: C(C(=O)O)N(C)C(C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)NC)I)=O
• InChI: 1S/C14H14I3N3O5/c1-5(21)19-12-10(16)7(13(24)18-2)9(15)8(11(12)17)14(25)20(3)4-6(22)23/h4H2,1-3H3,(H,18,24)(H,19,21)(H,22,23)
• InChIKey: GKELZQGBXQGTPA-UHFFFAOYSA-N

Properties

• Density: 2.318g/cm³ (Cal.)
• Boiling point: 677.007°C at 760 mmHg (Cal.)
• Flash point: 363.241°C (Cal.)