2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)isonicotinic acid
[CAS# 654663-42-0]

Identification

• Name: 2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)isonicotinic acid
• Molecular Formula: C₁₅H₂₁N₃O₄
• Molecular Weight: 307.34
• CAS Registry Number: 654663-42-0
• SMILES: OC(=O)c1cc(ncc1)N2CCN(CC2)C(=O)OC(C)(C)C
• InChI: 1S/C15H21N3O4/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)12-10-11(13(19)20)4-5-16-12/h4-5,10H,6-9H2,1-3H3,(H,19,20)
• InChIKey: RKTBSIAAAOXTJP-UHFFFAOYSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 540.614°C at 760 mmHg (Cal.)
• Flash point: 280.754°C (Cal.)
• Refractive index: 1.563 (Cal.)