4-[(4-Methylphenyl)sulfonyl]-1-piperidinecarboxylic acid tert-butyl ester

Base Information

• Chemical Name: 4-[(4-Methylphenyl)sulfonyl]-1-piperidinecarboxylic acid tert-butyl ester
• CAS No.: 676527-72-3
• Molecular Formula: C17H25NO4S
• Molecular Weight: 339.45000
• DSSTox Substance ID: DTXSID10697187
• Wikidata: Q72495328
• Mol file: 676527-72-3.mol

Synonyms:676527-72-3;4-[(4-METHYLPHENYL)SULFONYL]-1-PIPERIDINECARBOXYLIC ACID TERT-BUTYL ESTER;tert-butyl 4-(4-methylphenyl)sulfonylpiperidine-1-carboxylate;tert-butyl 4-tosylpiperidine-1-carboxylate;SCHEMBL23546383;DTXSID10697187;FT-0706859;tert-Butyl 4-(4-methylbenzene-1-sulfonyl)piperidine-1-carboxylate

Chemical Property of 4-[(4-Methylphenyl)sulfonyl]-1-piperidinecarboxylic acid tert-butyl ester

Chemical Property:

• Boiling Point: 486.7±45.0 °C(Predicted)
• PKA: -3.00±0.40(Predicted)
• PSA: 72.06000
• Density: 1.177
• LogP: 4.18690
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 339.15042945
• Heavy Atom Count: 23
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2CCN(CC2)C(=O)OC(C)(C)C

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