4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-benzonitrile

Base Information

• Chemical Name: 4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-benzonitrile
• CAS No.: 845866-73-1
• Molecular Formula: C13H15N3
• Molecular Weight: 213.28
• European Community (EC) Number: 674-135-4
• DSSTox Substance ID: DTXSID60375408
• Mol file: 845866-73-1.mol

Synonyms:845866-73-1;4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile;4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-BENZONITRILE;(1S,4S)-4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-benzonitrile;DTXSID60375408;4-(2,5-diazabicyclo[2.2.1]hept-2-ylmethyl)benzonitrile;4-({2,5-diazabicyclo[2.2.1]heptan-2-yl}methyl)benzonitrile

Chemical Property of 4-(2,5-Diaza-bicyclo[2.2.1]hept-2-ylmethyl)-benzonitrile

Chemical Property:

• PSA: 39.06000
• LogP: 1.37108
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.126597491
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

99%min ^*data from raw suppliers

4-(2,5-Diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CNC1CN2CC3=CC=C(C=C3)C#N