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3-Cyclohexyl-3-oxopropanenitrile

  • CAS No. 62455-70-3

  • Cat. No. CS-0222656
  • Molecule weight151.21
  • Purity≥97%
  • MDL No.None

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

3-Cyclohexyl-3-oxopropanenitrile|CS-0222656

Structure of 62455-70-3

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General Information

  • CAS No. 62455-70-3
  • Cat. No. CS-0222656
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO
  • Molecular Weight 151.21
  • Synonym(s) β-oxo-Cyclohexanepropanenitrile
  • SMILES C1CCC(CC1)C(=O)CC#N

Synthesis

  • Route1

    References

    • Anderson, Kevin; Chen, Yi; Chen, Zhi; Luk, Kin-Chun; Rossman, Pamela Loreen; Sun, Hongmao; Wovkulich, Peter Michael Patent: US2012/184542 A1, 2012 ; Location in patent: Page/Page column 112 ; US 20120184542 A1
  • Route2
    • null|null
      372-09-8
    • null|null
      2719-27-9
    • ~77%
    • 3-Cyclohexyl-3-oxopropanenitrile|CS-0222656
      62455-70-3

    References

    • Nowill, Randall W.; Patel, Trisha J.; Beasley, David L.; Alvarez, Jose A.; Jackson III, Elizah; Hizer, Todd J.; Ghiviriga, Ion; Mateer, Scott C.; Feske, Brent D. Tetrahedron Letters, 2011 , vol. 52, # 19 p. 2440 - 2442
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 26, p. 1575 - 1578

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   40.86
  • LogP   2.04948
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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