3-Acetylamino-2,4,6-Triiodo-5-Valerylaminobenzoic Acid
[CAS# 67011-44-3]

Identification

• Name: 3-Acetylamino-2,4,6-Triiodo-5-Valerylaminobenzoic Acid
• Synonyms: 3-Acetamido-2,4,6-Triiodo-5-(1-Oxopentylamino)Benzoic Acid; 3-Acetamido-2,4,6-Triiodo-5-(Valerylamino)Benzoic Acid; Benzoic Acid, 3-Acetamido-2,4,6-Triiodo-5-Valeramido-
• Molecular Formula: C₁₄H₁₅I₃N₂O₄
• Molecular Weight: 656.00
• CAS Registry Number: 67011-44-3
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)NC(=O)C)CCC
• InChI: 1S/C14H15I3N2O4/c1-3-4-5-7(21)19-13-10(16)8(14(22)23)9(15)12(11(13)17)18-6(2)20/h3-5H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
• InChIKey: BXKVPAOMAPYOFF-UHFFFAOYSA-N

Properties

• Density: 2.311g/cm³ (Cal.)
• Boiling point: 629.186°C at 760 mmHg (Cal.)
• Flash point: 334.32°C (Cal.)