2-[3-(Butyrylamino)-2,4,6-Triiodobenzyl]Butyric Acid
[CAS# 27293-82-9]

Identification

• Name: 2-[3-(Butyrylamino)-2,4,6-Triiodobenzyl]Butyric Acid
• Synonyms: 2-[[3-(Butanoylamino)-2,4,6-Triiodo-Phenyl]Methyl]Butanoic Acid; 2-[[2,4,6-Triiodo-3-(1-Oxobutylamino)Phenyl]Methyl]Butanoic Acid; 2-(3-Butyramido-2,4,6-Triiodo-Benzyl)Butyric Acid
• Molecular Formula: C₁₅H₁₈I₃NO₃
• Molecular Weight: 641.03
• CAS Registry Number: 27293-82-9
• EINECS: 248-389-8
• SMILES: C1=C(C(=C(C(=C1I)CC(C(O)=O)CC)I)NC(CCC)=O)I
• InChI: 1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
• InChIKey: YMOXVLQZFAUUKI-UHFFFAOYSA-N

Properties

• Density: 2.143g/cm³ (Cal.)
• Boiling point: 608.684°C at 760 mmHg (Cal.)
• Flash point: 321.921°C (Cal.)