2-Methyl-2-propanyl 4-[2-(methoxycarbonyl)-4-nitrophenyl]-1-piperazinecarboxylate
[CAS# 870703-73-4]

Identification

• Name: 2-Methyl-2-propanyl 4-[2-(methoxycarbonyl)-4-nitrophenyl]-1-piperazinecarboxylate
• Synonyms: 1-Boc-4-(2-methoxycarbonyl-4-nitrophenyl)piperazine; Methyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-5-nitrobenzoate; Methyl 2-(Boc-piperazin-1-yl)-5-nitrobenzoate
• Molecular Formula: C₁₇H₂₃N₃O₆
• Molecular Weight: 365.38
• CAS Registry Number: 870703-73-4
• SMILES: [O-][N+](=O)c1cc(c(cc1)N2CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC
• InChI: 1S/C17H23N3O6/c1-17(2,3)26-16(22)19-9-7-18(8-10-19)14-6-5-12(20(23)24)11-13(14)15(21)25-4/h5-6,11H,7-10H2,1-4H3
• InChIKey: WXDHETYREQPFEV-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Melting point: 117-119°C (Expl.)
• Boiling point: 516.5°C at 760 mmHg (Cal.)
• Flash point: 266.2°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: IRRITANT