3-[(Aminoacetyl)Amino]-5-[[(2-Hydroxyethyl)Amino]Carbonyl]-2,4,6-Triiodobenzoic Acid
[CAS# 59017-39-9]

Identification

• Name: 3-[(Aminoacetyl)Amino]-5-[[(2-Hydroxyethyl)Amino]Carbonyl]-2,4,6-Triiodobenzoic Acid
• Synonyms: 3-[(2-Aminoacetyl)Amino]-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoic Acid; 3-[(2-Amino-1-Oxoethyl)Amino]-5-[(2-Hydroxyethylamino)-Oxomethyl]-2,4,6-Triiodobenzoic Acid; 3-(Glycylamino)-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoic Acid
• Molecular Formula: C₁₂H₁₂I₃N₃O₅
• Molecular Weight: 658.96
• CAS Registry Number: 59017-39-9
• EINECS: 261-559-6
• SMILES: C(C(NC1=C(C(=C(C(=C1I)C(=O)NCCO)I)C(=O)O)I)=O)N
• InChI: 1S/C12H12I3N3O5/c13-7-5(11(21)17-1-2-19)8(14)10(18-4(20)3-16)9(15)6(7)12(22)23/h19H,1-3,16H2,(H,17,21)(H,18,20)(H,22,23)
• InChIKey: PDXKTSSZEZWKPA-UHFFFAOYSA-N

Properties

• Density: 2.541g/cm³ (Cal.)
• Boiling point: 612.25°C at 760 mmHg (Cal.)
• Flash point: 324.078°C (Cal.)