(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)(4-nitrophenyl)acetic acid
[CAS# 885274-20-4]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)(4-nitrophenyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(4-nitrophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(4-nitro-phenyl)acetic acid; 4-[carboxy-(4-nitro-phenyl)-methyl]-piperazine-1-carboxylicacidtert-butylesterhydrochloride
• Molecular Formula: C₁₇H₂₃N₃O₆
• Molecular Weight: 365.38
• CAS Registry Number: 885274-20-4
• SMILES: O=C(O)C(c1ccc([N+]([O-])=O)cc1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H23N3O6/c1-17(2,3)26-16(23)19-10-8-18(9-11-19)14(15(21)22)12-4-6-13(7-5-12)20(24)25/h4-7,14H,8-11H2,1-3H3,(H,21,22)
• InChIKey: ROSDMOMFZWIXBB-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 506.716°C at 760 mmHg (Cal.)
• Flash point: 260.253°C (Cal.)
• Refractive index: 1.579 (Cal.)