2-[[3-[[2-(Ethyl-(2-Hydroxyethyl)Amino)Acetyl]Amino]-2,4,6-Triiodophenyl]Methyl]Butanoic Acid
[CAS# 76975-06-9]

Identification

• Name: 2-[[3-[[2-(Ethyl-(2-Hydroxyethyl)Amino)Acetyl]Amino]-2,4,6-Triiodophenyl]Methyl]Butanoic Acid
• Synonyms: 2-[[3-[[2-(Ethyl-(2-Hydroxyethyl)Amino)Acetyl]Amino]-2,4,6-Triiodo-Phenyl]Methyl]Butanoic Acid; 2-[[3-[[2-(Ethyl-(2-Hydroxyethyl)Amino)-1-Oxoethyl]Amino]-2,4,6-Triiodophenyl]Methyl]Butanoic Acid; 2-[3-[[2-(Ethyl-(2-Hydroxyethyl)Amino)Acetyl]Amino]-2,4,6-Triiodo-Benzyl]Butyric Acid
• Molecular Formula: C₁₇H₂₃I₃N₂O₄
• Molecular Weight: 700.09
• CAS Registry Number: 76975-06-9
• SMILES: C1=C(C(=C(C(=C1I)CC(C(=O)O)CC)I)NC(CN(CCO)CC)=O)I
• InChI: 1S/C17H23I3N2O4/c1-3-10(17(25)26)7-11-12(18)8-13(19)16(15(11)20)21-14(24)9-22(4-2)5-6-23/h8,10,23H,3-7,9H2,1-2H3,(H,21,24)(H,25,26)
• InChIKey: DWBKQIMYWZACBK-UHFFFAOYSA-N

Properties

• Density: 2.078g/cm³ (Cal.)
• Boiling point: 679.021°C at 760 mmHg (Cal.)
• Flash point: 364.459°C (Cal.)