2-Methyl-2-propanyl 3-[(3-cyanophenyl)sulfonyl]-1-piperidinecarboxylate
[CAS# 887589-95-9]

Identification

• Name: 2-Methyl-2-propanyl 3-[(3-cyanophenyl)sulfonyl]-1-piperidinecarboxylate
• Synonyms: 1-Piperidinecarboxylic acid, 3-[(3-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester; 1-PIPERIDINECARBOXYLICACID, 3-[(3-CYANOPHENYL)SULFONYL]-, 1,1-DIMETHYLETHYL ESTER; 2-Methyl-2-propanyl 3-[(3-cyanophenyl)sulfonyl]-1-piperidinecarboxylate
• Molecular Formula: C₁₇H₂₂N₂O₄S
• Molecular Weight: 350.43
• CAS Registry Number: 887589-95-9
• SMILES: CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)c2cccc(c2)C#N
• InChI: 1S/C17H22N2O4S/c1-17(2,3)23-16(20)19-9-5-8-15(12-19)24(21,22)14-7-4-6-13(10-14)11-18/h4,6-7,10,15H,5,8-9,12H2,1-3H3
• InChIKey: HTWOQLOVFJMCEU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 527.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 272.7±30.1°C (Cal.)
• Refractive index: 1.57 (Cal.)