5-Carbamoyl-1H-Imidazol-4-Yl Piperonylate
[CAS# 66148-63-8]

Identification

• Name: 5-Carbamoyl-1H-Imidazol-4-Yl Piperonylate
• Synonyms: 1,3-Benzodioxole-5-Carboxylic Acid (5-Carbamoyl-1H-Imidazol-4-Yl) Ester; (5-Aminocarbonyl-1H-Imidazol-4-Yl) 1,3-Benzodioxole-5-Carboxylate; 1,3-Benzodioxole-5-Carboxylic Acid, 5-(Aminocarbonyl)-1H-Imidazol-4-Yl Ester
• Molecular Formula: C₁₂H₉N₃O₅
• Molecular Weight: 275.22
• CAS Registry Number: 66148-63-8
• SMILES: C2=C1OCOC1=CC=C2C(=O)OC3=C([NH]C=N3)C(=O)N
• InChI: 1S/C12H9N3O5/c13-10(16)9-11(15-4-14-9)20-12(17)6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H2,13,16)(H,14,15)
• InChIKey: DUVZIPJBSDUYLN-UHFFFAOYSA-N

Properties

• Density: 1.579g/cm³ (Cal.)
• Boiling point: 710.75°C at 760 mmHg (Cal.)
• Flash point: 383.648°C (Cal.)