4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-3-nitrobenzoic acid
[CAS# 870703-72-3]

Identification

• Name: 4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-3-nitrobenzoic acid
• Synonyms: 1-Boc-4-(4-carboxy-2-nitrophenyl)piperazine; 4-(Boc-piperazin-1-yl)-3-nitrobenzoic acid; 4-[(tert-Butoxycarbonyl)-piperazin-1-yl]-3-nitrobenzoic acid
• Molecular Formula: C₁₆H₂₁N₃O₆
• Molecular Weight: 351.35
• CAS Registry Number: 870703-72-3
• SMILES: [O-][N+](=O)c1cc(C(=O)O)ccc1N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)12-5-4-11(14(20)21)10-13(12)19(23)24/h4-5,10H,6-9H2,1-3H3,(H,20,21)
• InChIKey: CYGRJUZYSXUAMM-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 529.2°C at 760 mmHg (Cal.)
• Flash point: 273.8°C (Cal.)
• Refractive index: 1.582 (Cal.)