Sodium 2-[(3-Amino-2,4,6-Triiodophenyl)Methyl]Butanoate
[CAS# 2497-78-1]

Identification

• Name: Sodium 2-[(3-Amino-2,4,6-Triiodophenyl)Methyl]Butanoate
• Synonyms: Sodium 2-[(3-Amino-2,4,6-Triiodo-Phenyl)Methyl]Butanoate; Sodium 2-(3-Amino-2,4,6-Triiodo-Benzyl)Butyrate; Iopanoic Acid Sodium Salt
• Molecular Formula: C₁₁H₁₁I₃NNaO₂
• Molecular Weight: 592.92
• CAS Registry Number: 2497-78-1
• EINECS: 219-683-3
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C([O-])=O)CC)N.[Na+]
• InChI: 1S/C11H12I3NO2.Na/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14;/h4-5H,2-3,15H2,1H3,(H,16,17);/q;+1/p-1
• InChIKey: LEXZDSSHLHPSQC-UHFFFAOYSA-M

Properties

• Boiling point: 529.1°C at 760 mmHg (Cal.)
• Flash point: 273.8°C (Cal.)