2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
[CAS# 902835-85-2]

Identification

• Name: 2-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
• Synonyms: 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)nicotinic acid; 2-(4-BOC-PIPERAZIN-1-YL)NICOTINIC ACID; 2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-3-carboxylic acid
• Molecular Formula: C₁₅H₂₁N₃O₄
• Molecular Weight: 307.34
• CAS Registry Number: 902835-85-2
• SMILES: O=C(OC(C)(C)C)N2CCN(c1ncccc1C(=O)O)CC2
• InChI: 1S/C15H21N3O4/c1-15(2,3)22-14(21)18-9-7-17(8-10-18)12-11(13(19)20)5-4-6-16-12/h4-6H,7-10H2,1-3H3,(H,19,20)
• InChIKey: RQDJPSKVYOSWDB-UHFFFAOYSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 478.499°C at 760 mmHg (Cal.)
• Flash point: 243.188°C (Cal.)
• Refractive index: 1.564 (Cal.)