(4S)-4-Benzyl-5-Methyl-2,5-Diazabicyclo[5.4.0]Undeca-7,9,11-Triene-3,6-Dione
[CAS# 50886-63-0]

Identification

• Name: (4S)-4-Benzyl-5-Methyl-2,5-Diazabicyclo[5.4.0]Undeca-7,9,11-Triene-3,6-Dione
• Synonyms: (3S)-3-(Benzyl)-4-Methyl-1,3-Dihydro-1,4-Benzodiazepine-2,5-Quinone
• Molecular Formula: C₁₇H₁₆N₂O₂
• Molecular Weight: 280.33
• CAS Registry Number: 50886-63-0
• SMILES: [C@H]2(N(C(=O)C1=CC=CC=C1NC2=O)C)CC3=CC=CC=C3
• InChI: 1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1
• InChIKey: KSQNKZMAMGACTL-HNNXBMFYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 514.268°C at 760 mmHg (Cal.)
• Flash point: 264.82°C (Cal.)