3-Phenyl-8-Propanoyl-3,8-Diazabicyclo[3.2.1]Octane-2,4-Dione
[CAS# 35142-71-3]

Identification

• Name: 3-Phenyl-8-Propanoyl-3,8-Diazabicyclo[3.2.1]Octane-2,4-Dione
• Synonyms: 8-(1-Oxopropyl)-3-Phenyl-3,8-Diazabicyclo[3.2.1]Octane-2,4-Dione; 3-Phenyl-8-Propionyl-3,8-Diazabicyclo[3.2.1]Octane-2,4-Quinone; 3,8-Diazabicyclo(3.2.1)Octane-2,4-Dione, 3-Phenyl-8-Propionyl-
• Molecular Formula: C₁₅H₁₆N₂O₃
• Molecular Weight: 272.30
• CAS Registry Number: 35142-71-3
• SMILES: C1=CC=CC=C1N2C(C3N(C(C2=O)CC3)C(=O)CC)=O
• InChI: 1S/C15H16N2O3/c1-2-13(18)17-11-8-9-12(17)15(20)16(14(11)19)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
• InChIKey: JBSDYSSKUBAYBU-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 552.493°C at 760 mmHg (Cal.)
• Flash point: 278.207°C (Cal.)