3-Methyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-2-carbonitrile

Base Information

• Chemical Name: 3-Methyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-2-carbonitrile
• CAS No.: 90036-34-3
• Molecular Formula: C13H16N2O2S
• DSSTox Substance ID: DTXSID00528719
• Mol file: 90036-34-3.mol

Synonyms:90036-34-3;DTXSID00528719;3-Methyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-2-carbonitrile

Chemical Property of 3-Methyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine-2-carbonitrile

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.09324893
• Heavy Atom Count: 18
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(C1C#N)S(=O)(=O)C2=CC=C(C=C2)C