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CS-W001157 4
Total: USD 88.00

5-Methylhexanenitrile

  • CAS No. 19424-34-1

  • Cat. No. CS-0582537
  • Molecule weight111.18
  • Purity≥98%
  • MDL No.None

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

5-Methylhexanenitrile|CS-0582537

Structure of 19424-34-1

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General Information

  • CAS No. 19424-34-1
  • Cat. No. CS-0582537
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃N
  • Molecular Weight 111.18
  • Synonym(s) Isohexylcyanid
  • SMILES CC(C)CCCC#N

Synthesis

  • Route1
    • null|null
      691-37-2
    • null|null
      150464-47-4
    • ~90%
    • 5-Methylhexanenitrile|CS-0582537
      19424-34-1

    References

    • Masuda, Yuzuru; Hoshi, Masayuki; Arase, Akira Journal of the Chemical Society, Chemical Communications, 1989 , # 5 p. 266 - 267
  • Route2
    • Pregabalin Impurity 129|CS-1003518
      3016-28-2
    • ~67%
    • 5-Methylhexanenitrile|CS-0582537
      19424-34-1

    References

    • Yokoyama, Masataka; Yoshida, Sayaka; Imamoto, Tsuneo Synthesis, 1982 , # 7 p. 591 - 592
  • Route3
    • null|null
      26526-71-6
    • ~%
    • 5-Methylhexanenitrile|CS-0582537
      19424-34-1

    References

    • Alaux, Sebastien; Kusk, Mie; Sagot, Emanuelle; Bolte, Jean; Jensen, Anders A.; Braeuner-Osborne, Hans; Gefflaut, Thierry; Bunch, Lennart Journal of Medicinal Chemistry, 2005 , vol. 48, # 25 p. 7980 - 7992

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

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.33628
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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