3,5-Bis(Hexanoylamino)-2,4,6-Triiodobenzoic Acid
[CAS# 67032-31-9]

Identification

• Name: 3,5-Bis(Hexanoylamino)-2,4,6-Triiodobenzoic Acid
• Synonyms: 3,5-Bis(Hexanoylamino)-2,4,6-Triiodo-Benzoic Acid; 2,4,6-Triiodo-3,5-Bis(1-Oxohexylamino)Benzoic Acid; 3,5-Bis(Caproylamino)-2,4,6-Triiodo-Benzoic Acid
• Molecular Formula: C₁₉H₂₅I₃N₂O₄
• Molecular Weight: 726.13
• CAS Registry Number: 67032-31-9
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)NC(=O)CCCCC)C(=O)O)CCCC
• InChI: 1S/C19H25I3N2O4/c1-3-5-7-9-11(25)23-17-14(20)13(19(27)28)15(21)18(16(17)22)24-12(26)10-8-6-4-2/h3-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)
• InChIKey: RRCCBBFPHXTAFB-UHFFFAOYSA-N

Properties

• Density: 1.982g/cm³ (Cal.)
• Boiling point: 664.105°C at 760 mmHg (Cal.)
• Flash point: 355.438°C (Cal.)