3'-Amino-2',4',6'-Triiodo-3-Methylglutaranilic Acid
[CAS# 25827-77-4]

Identification

• Name: 3'-Amino-2',4',6'-Triiodo-3-Methylglutaranilic Acid
• Synonyms: 5-[(3-Amino-2,4,6-Triiodo-Phenyl)Amino]-3-Methyl-5-Oxo-Pentanoic Acid; 5-[(3-Amino-2,4,6-Triiodo-Phenyl)Amino]-5-Keto-3-Methyl-Valeric Acid; 3'-Amino-3-Methyl-2',4',6'-Triiodoglutaranilic Acid
• Molecular Formula: C₁₂H₁₃I₃N₂O₃
• Molecular Weight: 613.96
• CAS Registry Number: 25827-77-4
• SMILES: C1=C(I)C(=C(I)C(=C1I)NC(=O)CC(CC(=O)O)C)N
• InChI: 1S/C12H13I3N2O3/c1-5(3-9(19)20)2-8(18)17-12-7(14)4-6(13)11(16)10(12)15/h4-5H,2-3,16H2,1H3,(H,17,18)(H,19,20)
• InChIKey: FFCMEHNCMALNBY-UHFFFAOYSA-N

Properties

• Density: 2.436g/cm³ (Cal.)
• Boiling point: 641.426°C at 760 mmHg (Cal.)
• Flash point: 341.722°C (Cal.)