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CS-W001157 4
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3-(Adamantan-1-yl)propanenitrile

  • CAS No. 52582-89-5

  • Cat. No. CS-0305780
  • Molecule weight189.30
  • Purity≥98%
  • MDL No.None

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

3-(Adamantan-1-yl)propanenitrile|CS-0305780

Structure of 52582-89-5

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General Information

  • CAS No. 52582-89-5
  • Cat. No. CS-0305780
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₉N
  • Molecular Weight 189.30
  • Synonym(s) 3-(1-ADAMANTYL)PROPANENITRILE
  • SMILES N#CCCC12CC3CC(C2)CC(C3)C1

Synthesis

  • Route1

    References

    • Yoshimi, Yasuharu; Washida, Sonoka; Okita, Yoshiki; Nishikawa, Keisuke; Maeda, Kousuke; Hayashi, Shota; Morita, Toshio Tetrahedron Letters, 2013 , vol. 54, # 32 p. 4324 - 4326
  • Route2
    • null|null
      36949-72-1
    • null|null
      143-33-9
    • ~10%
    • 3-(Adamantan-1-yl)propanenitrile|CS-0305780
      52582-89-5

    References

    • LABORATORIOS ALMIRALL, S.A. Patent: WO2009/68177 A1, 2009 ; Location in patent: Page/Page column 35 ; WO 2009/068177 A1
  • Route3

    References

    • Hadida, Sabine; Super, Michael S.; Beckman, Eric J.; Curran, Dennis P. Journal of the American Chemical Society, 1997 , vol. 119, # 31 p. 7406 - 7407

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.50658
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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