(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)(3-nitrophenyl)acetic acid
[CAS# 885274-17-9]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)(3-nitrophenyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(3-nitrophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3-nitro-phenyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(3-NITRO-PHENYL)ACETICACID
• Molecular Formula: C₁₇H₂₃N₃O₆
• Molecular Weight: 365.38
• CAS Registry Number: 885274-17-9
• SMILES: O=C(O)C(c1cccc([N+]([O-])=O)c1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H23N3O6/c1-17(2,3)26-16(23)19-9-7-18(8-10-19)14(15(21)22)12-5-4-6-13(11-12)20(24)25/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)
• InChIKey: PNYKVACQPIQWMX-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 490.797°C at 760 mmHg (Cal.)
• Flash point: 250.625°C (Cal.)
• Refractive index: 1.579 (Cal.)