2-Methyl-2-propanyl 4-amino-4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperidinecarboxylate
[CAS# 849035-91-2]

Identification

• Name: 2-Methyl-2-propanyl 4-amino-4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperidinecarboxylate
• Synonyms: 1-BOC-4-[4-(Methylsulfonyl)-2-nitrophenyl]-piperidin-4-amine; 1-PIPERIDINECARBOXYLICACID, 4-[[4-(METHYLSULFONYL)-2-NITROPHENYL]AMINO]-, 1,1-DIMETHYLETHYL ESTER; tert-butyl 4-amino-4-(4-(methylsulfonyl)-2-nitrophenyl)piperidine-1-carboxylate
• Molecular Formula: C₁₇H₂₅N₃O₆S
• Molecular Weight: 399.46
• CAS Registry Number: 849035-91-2
• SMILES: O=S(=O)(c1ccc(c([N+]([O-])=O)c1)C2(N)CCN(C(=O)OC(C)(C)C)CC2)C
• InChI: 1S/C17H25N3O6S/c1-16(2,3)26-15(21)19-9-7-17(18,8-10-19)13-6-5-12(27(4,24)25)11-14(13)20(22)23/h5-6,11H,7-10,18H2,1-4H3
• InChIKey: TZGQSNRENCNEOD-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Melting point: 157-158°C (Expl.)
• Boiling point: 562.502°C at 760 mmHg (Cal.)
• Flash point: 293.991°C (Cal.)
• Refractive index: 1.561 (Cal.)