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CS-W001157 4
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1-Methyl-2-cyanoimidazole

  • CAS No. 45515-45-5

  • Cat. No. CS-0052457
  • Purity≥97%
  • MDL No.None

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

1-Methyl-2-cyanoimidazole|CS-0052457

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General Information

  • CAS No. 45515-45-5
  • Cat. No. CS-0052457
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) 1-Methyl-1H-imidazole-2-carbonitrile
  • SMILES CN1C=CN=C1C#N

Synthesis

  • Route1

    References

    • Whitten, Jeffrey P.; McCarthy, James R.; Matthews, Donald P. Synthesis, 1988 , # 6 p. 470 - 472 Title/Abstract Full Text Show Details Reese, Colin B.; Pei-Zhuo, Zhang Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 19 p. 2291 - 2302
  • Route2

    References

    • Wyeth Patent: US2005/75357 A1, 2005 ; Location in patent: Page/Page column 43 ; US 20050075357 A1
  • Route3

    References

    • Chauviere, Gerard; Bouteille, Bernard; Enanga, Bertin; De Albuquerque, Cristina; Croft, Simon L.; Dumas, Michel; Perie, Jacques Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 427 - 440

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   0.29178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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