(3,4-Dichlorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
[CAS# 885274-60-2]

Identification

• Name: (3,4-Dichlorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(3,4-dichlorophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3,4-dichloro-phenyl)acetic acid; 4-[carboxy-(3,4-dichloro-phenyl)-methyl]-piperazine-1-carboxylicacidtert-butylesterhydrochloride
• Molecular Formula: C₁₇H₂₂Cl₂N₂O₄
• Molecular Weight: 389.27
• CAS Registry Number: 885274-60-2
• SMILES: O=C(O)C(c1ccc(Cl)c(Cl)c1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H22Cl2N2O4/c1-17(2,3)25-16(24)21-8-6-20(7-9-21)14(15(22)23)11-4-5-12(18)13(19)10-11/h4-5,10,14H,6-9H2,1-3H3,(H,22,23)
• InChIKey: HPZXIWOTSJKSMY-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 485.448°C at 760 mmHg (Cal.)
• Flash point: 247.391°C (Cal.)
• Refractive index: 1.573 (Cal.)