3-Methyl-8-[(E)-3-Phenylprop-2-Enoyl]-3,8-Diazabicyclo[3.2.1]Octane-2,4-Dione
[CAS# 35139-98-1]

Identification

• Name: 3-Methyl-8-[(E)-3-Phenylprop-2-Enoyl]-3,8-Diazabicyclo[3.2.1]Octane-2,4-Dione
• Synonyms: 3-Methyl-8-[(E)-1-Oxo-3-Phenylprop-2-Enyl]-3,8-Diazabicyclo[3.2.1]Octane-2,4-Dione; 3-Methyl-8-[(E)-3-Phenylacryloyl]-3,8-Diazabicyclo[3.2.1]Octane-2,4-Quinone; 2,8-Diazabicyclo(3.2.1)Octane-2,4-Dione, 8-Cinnamoyl-3-Methyl-
• Molecular Formula: C₁₆H₁₆N₂O₃
• Molecular Weight: 284.31
• CAS Registry Number: 35139-98-1
• SMILES: C3=C(/C=C/C(N1C2C(N(C(C1CC2)=O)C)=O)=O)C=CC=C3
• InChI: 1S/C16H16N2O3/c1-17-15(20)12-8-9-13(16(17)21)18(12)14(19)10-7-11-5-3-2-4-6-11/h2-7,10,12-13H,8-9H2,1H3/b10-7+
• InChIKey: ICGQGUKMXAOFOU-JXMROGBWSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 546.008°C at 760 mmHg (Cal.)
• Flash point: 269.799°C (Cal.)