2-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
[CAS# 904817-78-3]

Identification

• Name: 2-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
• Synonyms: 2-{4-[(tert-butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid; 4-(3-Carboxy-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₆H₂₃N₃O₄
• Molecular Weight: 321.37
• CAS Registry Number: 904817-78-3
• SMILES: O=C(OC(C)(C)C)N2C(CN(c1ncccc1C(=O)O)CC2)C
• InChI: 1S/C16H23N3O4/c1-11-10-18(13-12(14(20)21)6-5-7-17-13)8-9-19(11)15(22)23-16(2,3)4/h5-7,11H,8-10H2,1-4H3,(H,20,21)
• InChIKey: PZDHQKRJVKDSKS-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 481.466°C at 760 mmHg (Cal.)
• Flash point: 244.982°C (Cal.)
• Refractive index: 1.549 (Cal.)