[(3S)-3-Benzyl-4-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-2-Oxo-1-Piperazinyl]Acetic Acid
[CAS# 215121-89-4]

Identification

• Name: [(3S)-3-Benzyl-4-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-2-Oxo-1-Piperazinyl]Acetic Acid
• Synonyms: (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one
• Molecular Formula: C₁₈H₂₄N₂O₅
• Molecular Weight: 348.39
• CAS Registry Number: 215121-89-4
• SMILES: O=C(O)CN1C(=O)[C@@H](N(C(=O)OC(C)(C)C)CC1)Cc2ccccc2
• InChI: 1S/C18H24N2O5/c1-18(2,3)25-17(24)20-10-9-19(12-15(21)22)16(23)14(20)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1
• InChIKey: NPWBAMOQBLYFEH-AWEZNQCLSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 546.053°C at 760 mmHg (Cal.)
• Flash point: 284.043°C (Cal.)
• Refractive index: 1.554 (Cal.)