1-[3-[3-(3-Nitrophenyl)-2-Propen-1-Yl]-3,8-Diazabicyclo[3.2.1]Oct-8-Yl]-1-Propanone
[CAS 63990-46-5]

Identification

• Name: 1-[3-[3-(3-Nitrophenyl)-2-Propen-1-Yl]-3,8-Diazabicyclo[3.2.1]Oct-8-Yl]-1-Propanone
• Synonyms: 3,8-Diazabicyclo(3.2.1)Octane, 3-(M-Nitrocinnamyl)-8-Propionyl-; 3-(M-Nitrocinnamyl)-8-Propionyl-3,8-Diazabicyclo(3.2.1)Octane; Brn 0624838
• Molecular Formula: C₁₈H₂₃N₃O₃
• Molecular Weight: 329.40
• CAS Registry Number: 63990-46-5
• SMILES: C3=C(/C=C/CN1CC2N(C(C1)CC2)C(=O)CC)C=CC=C3[N+]([O-])=O
• InChI: 1S/C18H23N3O3/c1-2-18(22)20-16-8-9-17(20)13-19(12-16)10-4-6-14-5-3-7-15(11-14)21(23)24/h3-7,11,16-17H,2,8-10,12-13H2,1H3/b6-4+
• InChIKey: WPKXQUCVSYGYFP-GQCTYLIASA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 524.199°C at 760 mmHg (Cal.)
• Flash point: 270.826°C (Cal.)