(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)[2-(trifluoromethyl)phenyl]acetic acid
[CAS# 885274-23-7]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)[2-(trifluoromethyl)phenyl]acetic acid
• Synonyms: 2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid; 2-(4-Boc-piperazinyl)-2-(2-trifluoromethyl-phenyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(2-TRIFLUOROMETHYL-PHENYL)ACETICACID
• Molecular Formula: C₁₈H₂₃F₃N₂O₄
• Molecular Weight: 388.38
• CAS Registry Number: 885274-23-7
• SMILES: O=C(O)C(c1ccccc1C(F)(F)F)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C18H23F3N2O4/c1-17(2,3)27-16(26)23-10-8-22(9-11-23)14(15(24)25)12-6-4-5-7-13(12)18(19,20)21/h4-7,14H,8-11H2,1-3H3,(H,24,25)
• InChIKey: IYIQZDBAVIZZOC-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 442.285°C at 760 mmHg (Cal.)
• Flash point: 221.286°C (Cal.)
• Refractive index: 1.518 (Cal.)