3-Acetylamino-5-(1-Oxohexylamino)-2,4,6-Triiodobenzoic Acid
[CAS# 67011-42-1]

Identification

• Name: 3-Acetylamino-5-(1-Oxohexylamino)-2,4,6-Triiodobenzoic Acid
• Synonyms: 3-Acetamido-5-(Hexanoylamino)-2,4,6-Triiodo-Benzoic Acid; 3-Acetamido-2,4,6-Triiodo-5-(1-Oxohexylamino)Benzoic Acid; 3-Acetamido-5-(Caproylamino)-2,4,6-Triiodo-Benzoic Acid
• Molecular Formula: C₁₅H₁₇I₃N₂O₄
• Molecular Weight: 670.02
• CAS Registry Number: 67011-42-1
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)NC(=O)C)CCCC
• InChI: 1S/C15H17I3N2O4/c1-3-4-5-6-8(22)20-14-11(17)9(15(23)24)10(16)13(12(14)18)19-7(2)21/h3-6H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
• InChIKey: VIUGMZLMZLCNGG-UHFFFAOYSA-N

Properties

• Density: 2.231g/cm³ (Cal.)
• Boiling point: 635.478°C at 760 mmHg (Cal.)
• Flash point: 338.125°C (Cal.)