3,6-Dimethyl-2,5-Piperazinedione
[CAS# 23927-13-1]

Identification

• Name: 3,6-Dimethyl-2,5-Piperazinedione
• Synonyms: (l,l)-cis-3,6-Dimethylpiperazine-2,5-dione; 2,5-Piperazinedione, 3,6-dimethyl-, trans-; 3,6-Dimethyl piperazine-2,5-dione
• Molecular Formula: C₆H₁₀N₂O₂
• Molecular Weight: 142.16
• CAS Registry Number: 23927-13-1
• SMILES: CC1C(=O)NC(C(=O)N1)C
• InChI: 1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
• InChIKey: WWISPHBAYBECQZ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 272-275°C (Expl.)
• Boiling point: 453.0±38.0°C at 760 mmHg (Cal.)
• Flash point: 227.9±26.9°C (Cal.)
• Refractive index: 1.442 (Cal.)

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012