3-(3-Cyano-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(3-Cyano-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887587-73-7
• Molecular Formula: C16H20 N2 O4 S
• Molecular Weight: 336.41
• DSSTox Substance ID: DTXSID50698779
• Mol file: 887587-73-7.mol

Synonyms:887587-73-7;tert-Butyl 3-((3-cyanophenyl)sulfonyl)pyrrolidine-1-carboxylate;3-(3-cyanophenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester;3-(3-CYANO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;DTXSID50698779;tert-Butyl 3-(3-cyanobenzene-1-sulfonyl)pyrrolidine-1-carboxylate

Chemical Property of 3-(3-Cyano-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

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: 594

Purity/Quality:

99%min ^*data from raw suppliers

3-(3-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=CC(=C2)C#N