N-[3-Carbamoyl-2,4,6-Triiodo-5-[(2-Methoxyacetyl)Amino]Benzoyl]-beta-Alanine
[CAS# 57469-53-1]

Identification

• Name: N-[3-Carbamoyl-2,4,6-Triiodo-5-[(2-Methoxyacetyl)Amino]Benzoyl]-beta-Alanine
• Synonyms: 3-[[[3-Carbamoyl-2,4,6-Triiodo-5-[(2-Methoxy-1-Oxoethyl)Amino]Phenyl]-Oxomethyl]Amino]Propanoic Acid; 3-[[3-Carbamoyl-2,4,6-Triiodo-5-[(2-Methoxyacetyl)Amino]Benzoyl]Amino]Propionic Acid; 3-[[3-Aminocarbonyl-2,4,6-Triiodo-5-(2-Methoxyethanoylamino)Phenyl]Carbonylamino]Propanoic Acid
• Molecular Formula: C₁₄H₁₄I₃N₃O₆
• Molecular Weight: 700.99
• CAS Registry Number: 57469-53-1
• SMILES: C(NC(C1=C(C(=C(C(=C1I)C(N)=O)I)NC(COC)=O)I)=O)CC(O)=O
• InChI: 1S/C14H14I3N3O6/c1-26-4-5(21)20-12-10(16)7(13(18)24)9(15)8(11(12)17)14(25)19-3-2-6(22)23/h2-4H2,1H3,(H2,18,24)(H,19,25)(H,20,21)(H,22,23)
• InChIKey: FJAOSUKULWWOPX-UHFFFAOYSA-N

Properties

• Density: 2.35g/cm³ (Cal.)
• Boiling point: 598.506°C at 760 mmHg (Cal.)
• Flash point: 315.766°C (Cal.)