2-[(2S,5S)-3,6-Dioxo-5-Propan-2-Ylpiperazin-2-Yl]Acetic Acid
[CAS# 78859-46-8]

Identification

• Name: 2-[(2S,5S)-3,6-Dioxo-5-Propan-2-Ylpiperazin-2-Yl]Acetic Acid
• Synonyms: 2-[(2S,5S)-5-Isopropyl-3,6-Dioxo-Piperazin-2-Yl]Acetic Acid; 2-[(2S,5S)-5-Isopropyl-3,6-Dioxo-2-Piperazinyl]Acetic Acid; 2-[(2S,5S)-5-Isopropyl-3,6-Diketo-Piperazin-2-Yl]Acetic Acid
• Molecular Formula: C₉H₁₄N₂O₄
• Molecular Weight: 214.22
• CAS Registry Number: 78859-46-8
• SMILES: [C@H]1(NC([C@@H](NC1=O)C(C)C)=O)CC(=O)O
• InChI: 1S/C9H14N2O4/c1-4(2)7-9(15)10-5(3-6(12)13)8(14)11-7/h4-5,7H,3H2,1-2H3,(H,10,15)(H,11,14)(H,12,13)/t5-,7-/m0/s1
• InChIKey: XPFDXOQLCBSANS-FSPLSTOPSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 593.198°C at 760 mmHg (Cal.)
• Flash point: 312.555°C (Cal.)