5-Methyl-2-(piperazin-1-yl)benzonitrile

Base Information

• Chemical Name: 5-Methyl-2-(piperazin-1-yl)benzonitrile
• CAS No.: 1211529-31-5
• Molecular Formula: C12H15N3
• Molecular Weight: 201.2676
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40682162
• Wikidata: Q82606456
• Mol file: 1211529-31-5.mol

Synonyms:5-Methyl-2-(piperazin-1-yl)benzonitrile;1211529-31-5;5-Methyl-2-piperazinobenzonitrile;5-Methyl-2-piperazinobenzonitrile, tech grade;5-methyl-2-piperazin-1-ylbenzonitrile;SCHEMBL20883839;DTXSID40682162;GS1535;GS1536;MFCD18311876;AKOS015842084;BS-25656;CS-0456966;A891914

Chemical Property of 5-Methyl-2-(piperazin-1-yl)benzonitrile

Chemical Property:

• PSA: 39.06000
• LogP: 1.67008
• Storage Temp.: Room temperature.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

95% ^*data from raw suppliers

5-Methyl-2-(piperazin-1-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2CCNCC2)C#N