(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)[3-(trifluoromethyl)phenyl]acetic acid
[CAS# 885274-26-0]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)[3-(trifluoromethyl)phenyl]acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(3-trifluoromethylphenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3-trifluoromethyl-phenyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(3-TRIFLUOROMETHYL-PHENYL)ACETICACID
• Molecular Formula: C₁₈H₂₃F₃N₂O₄
• Molecular Weight: 388.38
• CAS Registry Number: 885274-26-0
• SMILES: O=C(O)C(c1cccc(c1)C(F)(F)F)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C18H23F3N2O4/c1-17(2,3)27-16(26)23-9-7-22(8-10-23)14(15(24)25)12-5-4-6-13(11-12)18(19,20)21/h4-6,11,14H,7-10H2,1-3H3,(H,24,25)
• InChIKey: VDAYHHAPFFLENF-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 433.131°C at 760 mmHg (Cal.)
• Flash point: 215.75°C (Cal.)
• Refractive index: 1.518 (Cal.)