(3S,6Z)-3-Benzyl-6-Benzylidene-2,5-Piperazinedione
[CAS# 40739-77-3]

Identification

• Name: (3S,6Z)-3-Benzyl-6-Benzylidene-2,5-Piperazinedione
• Molecular Formula: C₁₈H₁₆N₂O₂
• Molecular Weight: 292.33
• CAS Registry Number: 40739-77-3
• SMILES: O=C2C(=C\c1ccccc1)\NC(=O)[C@@H](N2)Cc3ccccc3
• InChI: 1S/C18H16N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-11,16H,12H2,(H,19,22)(H,20,21)/b15-11-/t16-/m0/s1
• InChIKey: KJPNWHSBPATWCY-QZFKAFNDSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 627.444°C at 760 mmHg (Cal.)
• Flash point: 247.388°C (Cal.)