(4-Cyanophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
[CAS# 885274-36-2]

Identification

• Name: (4-Cyanophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(4-cyanophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(4-cyano-phenyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(4-CYANO-PHENYL)ACETICACID
• Molecular Formula: C₁₈H₂₃N₃O₄
• Molecular Weight: 345.39
• CAS Registry Number: 885274-36-2
• SMILES: O=C(O)C(c1ccc(C#N)cc1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C18H23N3O4/c1-18(2,3)25-17(24)21-10-8-20(9-11-21)15(16(22)23)14-6-4-13(12-19)5-7-14/h4-7,15H,8-11H2,1-3H3,(H,22,23)
• InChIKey: FCBPLIYQUXNOBX-UHFFFAOYSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 496.652°C at 760 mmHg (Cal.)
• Flash point: 254.166°C (Cal.)
• Refractive index: 1.586 (Cal.)