(4-Chlorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
[CAS# 885273-01-8]

Identification

• Name: (4-Chlorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(4-chloro-phenyl)acetic acid; 4-[carboxy-(4-chloro-phenyl)-methyl]-piperazine-1-carboxylicacidtert-butylesterhydrochloride
• Molecular Formula: C₁₇H₂₃ClN₂O₄
• Molecular Weight: 354.83
• CAS Registry Number: 885273-01-8
• SMILES: O=C(O)C(c1ccc(Cl)cc1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H23ClN2O4/c1-17(2,3)24-16(23)20-10-8-19(9-11-20)14(15(21)22)12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,21,22)
• InChIKey: GKUSLBONTUGQJI-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 464.448°C at 760 mmHg (Cal.)
• Flash point: 234.69°C (Cal.)
• Refractive index: 1.566 (Cal.)