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CS-W001157 4
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2-((Dimethylamino)methyl)benzonitrile

  • CAS No. 53369-76-9

  • Cat. No. CS-0161687
  • Molecule weight160.22
  • Purity≥97%
  • MDL No.MFCD07324818

*For research and further manufacturing use only, not for direct human use.

2-((Dimethylamino)methyl)benzonitrile|CS-0161687

Structure of 53369-76-9

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General Information

  • CAS No. 53369-76-9
  • Cat. No. CS-0161687
  • Purity ≥97%
  • MDL No. MFCD07324818
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂
  • Molecular Weight 160.22
  • Synonym(s) 2-[(Dimethylamino)methyl]benzonitrile
  • SMILES N#CC1=CC=CC=C1CN(C)C

Synthesis

  • Route1

    References

    • Tayama, Eiji; Kimura, Hiroshi Angewandte Chemie - International Edition, 2007 , vol. 46, # 46 p. 8869 - 8871
  • Route2

    References

    • Nguyen, Minh Tho; Clarke, Leo F.; Hegarty, Anthony F. Journal of Organic Chemistry, 1990 , vol. 55, # 25 p. 6177 - 6183
  • Route3
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    • 2-((Dimethylamino)methyl)benzonitrile|CS-0161687
      53369-76-9

    References

    • Nguyen, Minh Tho; Clarke, Leo F.; Hegarty, Anthony F. Journal of Organic Chemistry, 1990 , vol. 55, # 25 p. 6177 - 6183

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   27.03
  • LogP   1.61988
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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