3-[(E)-Hexadec-2-Enyl]-1-(3-Oxo-1,2-Dihydroindazol-6-Yl)Pyrrolidine-2,5-Dione
[CAS# 33508-79-1]

Identification

• Name: 3-[(E)-Hexadec-2-Enyl]-1-(3-Oxo-1,2-Dihydroindazol-6-Yl)Pyrrolidine-2,5-Dione
• Synonyms: 3-[(E)-Hexadec-2-Enyl]-1-(3-Ketoindazolin-6-Yl)Pyrrolidine-2,5-Quinone; 1-(2,3-Dihydro-3-Oxo-1H-Indazol-6-Yl)-3-(Hexadec-2-Enyl)Pyrrolidine-2,5-Dione
• Molecular Formula: C₂₇H₃₉N₃O₃
• Molecular Weight: 453.62
• CAS Registry Number: 33508-79-1
• EINECS: 251-547-9
• SMILES: C1=C3C(=CC=C1N2C(CC(C2=O)C\C=C\CCCCCCCCCCCCC)=O)C(NN3)=O
• InChI: 1S/C27H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-25(31)30(27(21)33)22-17-18-23-24(20-22)28-29-26(23)32/h14-15,17-18,20-21H,2-13,16,19H2,1H3,(H2,28,29,32)/b15-14+
• InChIKey: FKJVYUCQCYYZHK-CCEZHUSRSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 606.535°C at 760 mmHg (Cal.)
• Flash point: 320.621°C (Cal.)