(3-Chlorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
[CAS# 885272-99-1]

Identification

• Name: (3-Chlorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(3-chlorophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3-chloro-phenyl)acetic acid; 4-[carboxy-(3-chloro-phenyl)-methyl]-piperazine-1-carboxylicacidtert-butylesterhydrochloride
• Molecular Formula: C₁₇H₂₃ClN₂O₄
• Molecular Weight: 354.83
• CAS Registry Number: 885272-99-1
• SMILES: O=C(O)C(c1cccc(Cl)c1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H23ClN2O4/c1-17(2,3)24-16(23)20-9-7-19(8-10-20)14(15(21)22)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)
• InChIKey: MMXLMQWRBHJCFO-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 457.439°C at 760 mmHg (Cal.)
• Flash point: 230.451°C (Cal.)
• Refractive index: 1.566 (Cal.)