3-(Hexanoylamino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
[CAS# 1955-06-2]

Identification

• Name: 3-(Hexanoylamino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
• Molecular Formula: C₁₅H₁₇I₃N₂O₄
• Molecular Weight: 670.02
• CAS Registry Number: 1955-06-2
• SMILES: O=C(Nc1c(I)c(c(I)c(c1I)C(=O)O)C(=O)NC)CCCCC
• InChI: 1S/C15H17I3N2O4/c1-3-4-5-6-7(21)20-13-11(17)8(14(22)19-2)10(16)9(12(13)18)15(23)24/h3-6H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
• InChIKey: SLGLPCPQENJRPF-UHFFFAOYSA-N

Properties

• Density: 2.178g/cm³ (Cal.)
• Boiling point: 557.435°C at 760 mmHg (Cal.)
• Flash point: 290.926°C (Cal.)
• Refractive index: 1.696 (Cal.)