3-(Acetylamino)-5-(2-Amino-2-Oxoethyl)-2,4,6-Triiodobenzoic Acid
[CAS# 40590-65-6]

Identification

• Name: 3-(Acetylamino)-5-(2-Amino-2-Oxoethyl)-2,4,6-Triiodobenzoic Acid
• Synonyms: 3-Acetamido-5-(2-Amino-2-Oxo-Ethyl)-2,4,6-Triiodo-Benzoic Acid; 3-Acetamido-5-(2-Amino-2-Keto-Ethyl)-2,4,6-Triiodo-Benzoic Acid; Acetanilide, 5-Carbamoylmethyl-3-Carboxy-2,4,6-Triiodo-
• Molecular Formula: C₁₁H₉I₃N₂O₄
• Molecular Weight: 613.92
• CAS Registry Number: 40590-65-6
• SMILES: C(C1=C(C(=C(C(=C1I)C(O)=O)I)NC(C)=O)I)C(N)=O
• InChI: 1S/C11H9I3N2O4/c1-3(17)16-10-8(13)4(2-5(15)18)7(12)6(9(10)14)11(19)20/h2H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
• InChIKey: NDQMXNVDCKNYTF-UHFFFAOYSA-N

Properties

• Density: 2.614g/cm³ (Cal.)
• Boiling point: 672.596°C at 760 mmHg (Cal.)
• Flash point: 360.573°C (Cal.)