3-(Acetylamino)-5-(Octanoylamino)-2,4,6-Triiodobenzoic Acid
[CAS# 67011-43-2]

Identification

• Name: 3-(Acetylamino)-5-(Octanoylamino)-2,4,6-Triiodobenzoic Acid
• Synonyms: 3-Acetamido-2,4,6-Triiodo-5-(1-Oxooctylamino)Benzoic Acid; 3-Acetamido-5-(Caprylylamino)-2,4,6-Triiodo-Benzoic Acid; 3-Acetamido-5-Octanamido-2,4,6-Triiodobenzoic Acid
• Molecular Formula: C₁₇H₂₁I₃N₂O₄
• Molecular Weight: 698.08
• CAS Registry Number: 67011-43-2
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)NC(=O)C)CCCCCC
• InChI: 1S/C17H21I3N2O4/c1-3-4-5-6-7-8-10(24)22-16-13(19)11(17(25)26)12(18)15(14(16)20)21-9(2)23/h3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
• InChIKey: NUPMNAQVWKUZSZ-UHFFFAOYSA-N

Properties

• Density: 2.094g/cm³ (Cal.)
• Boiling point: 649.242°C at 760 mmHg (Cal.)
• Flash point: 346.449°C (Cal.)