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Quinuclidine-3-carbonitrile

  • CAS No. 51627-76-0

  • Cat. No. CS-0453177
  • Molecule weight136.19
  • Purity≥98%
  • MDL No.None

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

Quinuclidine-3-carbonitrile|CS-0453177

Structure of 51627-76-0

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General Information

  • CAS No. 51627-76-0
  • Cat. No. CS-0453177
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂
  • Molecular Weight 136.19
  • Synonym(s) 1-Azabicyclo[2.2.2]octane-3-carbonitrile
  • SMILES C1CN2CCC1C(C#N)C2

Synthesis

  • Route1
    • null|null
      3731-38-2
    • null|null
      38622-91-2
    • ~99%
    • Quinuclidine-3-carbonitrile|CS-0453177
      51627-76-0

    References

    • BAYER HEALTHCARE AG Patent: WO2005/12299 A1, 2005 ; Location in patent: Page/Page column 18 ;
  • Route2
    • null|null
      38622-91-2
    • null|null
      1193-65-3
    • ~%
    • Quinuclidine-3-carbonitrile|CS-0453177
      51627-76-0

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; MORTIMORE, Michael; EVERITT, Simon; RUTHERFORD, Alistair; KNEGTEL, Ronald Patent: WO2013/43961 A1, 2013 ; Location in patent: Paragraph 00156 ; WO 2013/043961 A1
  • Route3

    References

    • Merck, Sharp and Dohme, Ltd. Patent: US5686463 A1, 1997 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   27.03
  • LogP   0.85178
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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