3,5-Bis(Valerylamino)-2,4,6-Triiodobenzoic Acid
[CAS# 67049-60-9]

Identification

• Name: 3,5-Bis(Valerylamino)-2,4,6-Triiodobenzoic Acid
• Synonyms: 2,4,6-Triiodo-3,5-Bis(1-Oxopentylamino)Benzoic Acid; 2,4,6-Triiodo-3,5-Bis(Valerylamino)Benzoic Acid; Brn 3486092
• Molecular Formula: C₁₇H₂₁I₃N₂O₄
• Molecular Weight: 698.08
• CAS Registry Number: 67049-60-9
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)NC(=O)CCCC)C(=O)O)CCC
• InChI: 1S/C17H21I3N2O4/c1-3-5-7-9(23)21-15-12(18)11(17(25)26)13(19)16(14(15)20)22-10(24)8-6-4-2/h3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
• InChIKey: GGFOCZVPIOWRFB-UHFFFAOYSA-N

Properties

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