3-(4-Methylbenzyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid
[CAS# 887344-23-2]

Identification

• Name: 3-(4-Methylbenzyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinecarboxylic acid
• Synonyms: 1-[(tert-butyl)oxycarbonyl]-3-(4-methylbenzyl)piperidine-3-carboxylic acid; 1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-METHYLBENZYL)PIPERIDINE-3-CARBOXYLICACID; 1-Boc-3-(4-methyl-benzyl)-piperidine-3-carboxylic acid
• Molecular Formula: C₁₉H₂₇NO₄
• Molecular Weight: 333.42
• CAS Registry Number: 887344-23-2
• SMILES: O=C(OC(C)(C)C)N1CC(C(=O)O)(CCC1)Cc2ccc(cc2)C
• InChI: 1S/C19H27NO4/c1-14-6-8-15(9-7-14)12-19(16(21)22)10-5-11-20(13-19)17(23)24-18(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,21,22)
• InChIKey: OROZSQNPVNQUHJ-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 470.822°C at 760 mmHg (Cal.)
• Flash point: 238.545°C (Cal.)
• Refractive index: 1.543 (Cal.)