(5-Isopropyl-3,6-Dioxo-2-Piperazinyl)Acetic Acid
[CAS# 397847-48-2]

Identification

• Name: (5-Isopropyl-3,6-Dioxo-2-Piperazinyl)Acetic Acid
• Synonyms: [(2S,5S)-3,6-DIOXO-5-(PROPAN-2-YL)PIPERAZIN-2-YL]ACETIC ACID; 2-(5-isopropyl-3,6-dioxopiperazin-2-yl)acetic acid; 2-PIPERAZINEACETICACID, 5-(1-METHYLETHYL)-3,6-DIOXO-
• Molecular Formula: C₉H₁₄N₂O₄
• Molecular Weight: 214.22
• CAS Registry Number: 397847-48-2
• SMILES: O=C1NC(C(=O)NC1CC(=O)O)C(C)C
• 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)
• InChIKey: XPFDXOQLCBSANS-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 593.198°C at 760 mmHg (Cal.)
• Flash point: 312.555°C (Cal.)
• Refractive index: 1.482 (Cal.)