6-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
[CAS# 904817-70-5]

Identification

• Name: 6-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
• Synonyms: 4-(5-Carboxy-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester; 6-{4-[(tert-butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid
• Molecular Formula: C₁₆H₂₃N₃O₄
• Molecular Weight: 321.37
• CAS Registry Number: 904817-70-5
• SMILES: CC1CN(CCN1C(=O)OC(C)(C)C)c2ccc(cn2)C(=O)O
• InChI: 1S/C16H23N3O4/c1-11-10-18(13-6-5-12(9-17-13)14(20)21)7-8-19(11)15(22)23-16(2,3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
• InChIKey: OLQYDWGOSNEFKE-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 499.277°C at 760 mmHg (Cal.)
• Flash point: 255.754°C (Cal.)
• Refractive index: 1.549 (Cal.)