(3-Cyanophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
[CAS# 885274-33-9]

Identification

• Name: (3-Cyanophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(3-cyanophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3-cyano-phenyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(3-CYANO-PHENYL)ACETICACID
• Molecular Formula: C₁₈H₂₃N₃O₄
• Molecular Weight: 345.39
• CAS Registry Number: 885274-33-9
• SMILES: O=C(O)C(c1cccc(C#N)c1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C18H23N3O4/c1-18(2,3)25-17(24)21-9-7-20(8-10-21)15(16(22)23)14-6-4-5-13(11-14)12-19/h4-6,11,15H,7-10H2,1-3H3,(H,22,23)
• InChIKey: RPXHJMPXOXMYHN-UHFFFAOYSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 481.717°C at 760 mmHg (Cal.)
• Flash point: 245.134°C (Cal.)
• Refractive index: 1.586 (Cal.)