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CS-W001157 4
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2-((5-Formyl-1H-imidazol-1-yl)methyl)benzonitrile

  • CAS No. 655235-91-9

  • Cat. No. CS-0488689
  • Molecule weight211.22
  • Purity≥98%
  • MDL No.MFCD06656827

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

2-((5-Formyl-1H-imidazol-1-yl)methyl)benzonitrile|CS-0488689

Structure of 655235-91-9

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General Information

  • CAS No. 655235-91-9
  • Cat. No. CS-0488689
  • Purity ≥98%
  • MDL No. MFCD06656827
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₃O
  • Molecular Weight 211.22
  • Synonym(s) 2-(5-FORMYL-IMIDAZOL-1-YLMETHYL)-BENZONITRILE
  • SMILES O=CC1=CN=CN1CC1=CC=CC=C1C#N

Synthesis

  • Route1

    References

    • Suryadevara, Praveen Kumar; Olepu, Srinivas; Lockman, Jeffrey W.; Ohkanda, Junko; Karimi, Mandana; Verlinde, Christophe L. M. J.; Kraus, James M.; Schoepe, Jan; Van Voorhis, Wesley C.; Hamilton, Andrew D.; Buckner, Frederick S.; Gelb, Michael H. Journal of Medicinal Chemistry, 2009 , vol. 52, # 12 p. 3703 - 3715

Safety Information

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Computational Chemistry Data

  • TPSA   58.68
  • LogP   1.61558
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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