3-[(3-Methyl-1-piperidinyl)methyl]benzonitrile

Base Information

• Chemical Name: 3-[(3-Methyl-1-piperidinyl)methyl]benzonitrile
• CAS No.: 864685-02-9
• Molecular Formula: C14H18 N2
• Molecular Weight: 214.30612
• DSSTox Substance ID: DTXSID30592307
• Mol file: 864685-02-9.mol

Synonyms:864685-02-9;3-[(3-methyl-1-piperidinyl)methyl]benzonitrile;3-[(3-methylpiperidin-1-yl)methyl]benzonitrile;3-(3-METHYL-PIPERIDIN-1-YLMETHYL)-BENZYLAMINE;SCHEMBL12518834;DTXSID30592307;AKOS000190616;AKOS017086083;DB-076648;3-[(3-methyl-1-piperidyl)methyl]benzonitrile;3-((3-mMethylpiperidin-1-yl)methyl)benzonitrile;A841660;A1-49819

Chemical Property of 3-[(3-Methyl-1-piperidinyl)methyl]benzonitrile

Chemical Property:

• Boiling Point: 320.3±17.0 °C(Predicted)
• PKA: 8.66±0.10(Predicted)
• PSA: 27.03000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 2.72808
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.146998583
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99%min ^*data from raw suppliers

3-(3-METHYL-PIPERIDIN-1-YLMETHYL)-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN(C1)CC2=CC(=CC=C2)C#N