[3-(N-Benzylbutyrylamino)-2,4,6-Triiodophenyl]Acetic Acid
[CAS# 29193-41-7]

Identification

• Name: [3-(N-Benzylbutyrylamino)-2,4,6-Triiodophenyl]Acetic Acid
• Synonyms: 2-[3-(Butanoyl-(Phenylmethyl)Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid; 2-[2,4,6-Triiodo-3-(1-Oxobutyl-(Phenylmethyl)Amino)Phenyl]Acetic Acid; 2-[3-(Benzyl-Butyryl-Amino)-2,4,6-Triiodo-Phenyl]Acetic Acid
• Molecular Formula: C₁₉H₁₈I₃NO₃
• Molecular Weight: 689.07
• CAS Registry Number: 29193-41-7
• SMILES: C1=C(C(=C(C(=C1I)N(CC2=CC=CC=C2)C(CCC)=O)I)CC(O)=O)I
• InChI: 1S/C19H18I3NO3/c1-2-6-16(24)23(11-12-7-4-3-5-8-12)19-15(21)10-14(20)13(18(19)22)9-17(25)26/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,25,26)
• InChIKey: APXYHXSAVLWPPM-UHFFFAOYSA-N

Properties

• Density: 2.098g/cm³ (Cal.)
• Boiling point: 684.855°C at 760 mmHg (Cal.)
• Flash point: 367.987°C (Cal.)