4-[(3-Amino-2,4,6-Triiodophenyl)-Methylamino]-4-Oxobutanoic Acid
[CAS# 1221-05-2]

Identification

• Name: 4-[(3-Amino-2,4,6-Triiodophenyl)-Methylamino]-4-Oxobutanoic Acid
• Synonyms: 4-[(3-Amino-2,4,6-Triiodo-Phenyl)-Methyl-Amino]-4-Oxo-Butanoic Acid; 4-[(3-Amino-2,4,6-Triiodo-Phenyl)-Methyl-Amino]-4-Keto-Butyric Acid; Butanoic Acid, 4-((3-Amino-2,4,6-Triiodophenyl)Methylamino)-4-Oxo- (9Ci)
• Molecular Formula: C₁₁H₁₁I₃N₂O₃
• Molecular Weight: 599.93
• CAS Registry Number: 1221-05-2
• SMILES: C1=C(C(=C(C(=C1I)N)I)N(C(CCC(O)=O)=O)C)I
• InChI: 1S/C11H11I3N2O3/c1-16(7(17)2-3-8(18)19)11-6(13)4-5(12)10(15)9(11)14/h4H,2-3,15H2,1H3,(H,18,19)
• InChIKey: LTJAWEPNFDGFQG-UHFFFAOYSA-N

Properties

• Density: 2.529g/cm³ (Cal.)
• Boiling point: 663.794°C at 760 mmHg (Cal.)
• Flash point: 355.25°C (Cal.)