2-Amino-1-(4-ethylphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
[CAS# 732291-60-0]

Identification

• Name: 2-Amino-1-(4-ethylphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
• Synonyms: 2-amino-1-(4-ethylphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile; ZINC03300777
• Molecular Formula: C₁₃H₁₃N₃O
• Molecular Weight: 227.26
• CAS Registry Number: 732291-60-0
• SMILES: N#C\C2=C(/N)N(c1ccc(cc1)CC)C(=O)C2
• InChI: 1S/C13H13N3O/c1-2-9-3-5-11(6-4-9)16-12(17)7-10(8-14)13(16)15/h3-6H,2,7,15H2,1H3
• InChIKey: QLNHGCIBJWXQPS-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 492.955°C at 760 mmHg (Cal.)
• Flash point: 251.931°C (Cal.)
• Refractive index: 1.631 (Cal.)