tert-Butyl 3-((4-cyanophenyl)sulfonyl)pyrrolidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 3-((4-cyanophenyl)sulfonyl)pyrrolidine-1-carboxylate
• CAS No.: 887587-78-2
• Molecular Formula: C16H20 N2 O4 S
• Molecular Weight: 336.41
• DSSTox Substance ID: DTXSID30698818
• Mol file: 887587-78-2.mol

Synonyms:887587-78-2;tert-Butyl 3-((4-cyanophenyl)sulfonyl)pyrrolidine-1-carboxylate;3-(4-cyanophenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester;DTXSID30698818;tert-Butyl 3-(4-cyanobenzene-1-sulfonyl)pyrrolidine-1-carboxylate

Chemical Property of tert-Butyl 3-((4-cyanophenyl)sulfonyl)pyrrolidine-1-carboxylate

Chemical Property:

• PSA: 95.85000
• LogP: 3.36008
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 336.11437830
• Heavy Atom Count: 23
• Complexity: 586

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-cyano-benzenesulfonyl)-pyrrolidine-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)C#N