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CS-W001157 4
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1-Aminocyclohexane-1-carbonitrile

  • CAS No. 5496-10-6

  • Cat. No. CS-0168254
  • Purity≥97%
  • MDL No.MFCD01937788

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

1-Aminocyclohexane-1-carbonitrile|CS-0168254

Structure of 5496-10-6

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General Information

  • CAS No. 5496-10-6
  • Cat. No. CS-0168254
  • Purity ≥97%
  • MDL No. MFCD01937788
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂
  • Molecular Weight 124.18
  • Synonym(s) 1-Aminocyclohexanecarbonitrile
  • SMILES N#CC1(N)CCCCC1

Description

1-Aminocyclohexane-1-carbonitrile features a cyclohexane ring bearing both an amine and a nitrile group at the same carbon, enabling dual functionalization in synthetic sequences. This configuration supports efficient coupling reactions and facilitates incorporation into chiral scaffolds for medicinal chemistry applications. The molecule exhibits favorable solubility in polar aprotic solvents and maintains stability under standard bench conditions.

Application

1-Aminocyclohexane-1-carbonitrile serves as a versatile bifunctional building block in medicinal chemistry and process development. The molecule combines a pendant amine and nitrile group, enabling sequential transformations such as amidation, reductive amination, or cyclization to access nitrogen-containing heterocycles. Its bench-stable nature and compatibility with common protecting group strategies facilitate efficient synthesis of complex scaffolds.

Synthesis

  • Route1
    • null|null
      143-33-9
    • null|null
      108-94-1
    • ~90%
    • In-stock
      1-Aminocyclohexane-1-carbonitrile|CS-0168254
      5496-10-6

    References

    • Neurochem (International) Limited Patent: US2006/223855 A1, 2006 ; Location in patent: Page/Page column 156 ;
  • Route2
    • null|null
      151-50-8
    • null|null
      108-94-1
    • ~91%
    • In-stock
      1-Aminocyclohexane-1-carbonitrile|CS-0168254
      5496-10-6

    References

    • Davis, Matthew C.; Stasko, Daniel; Chapman, Robert D. Synthetic Communications, 2003 , vol. 33, # 15 p. 2677 - 2684
  • Route3
    • null|null
      108-94-1
    • null|null
      75-86-5
    • ~71%
    • In-stock
      1-Aminocyclohexane-1-carbonitrile|CS-0168254
      5496-10-6

    References

    • Popov; Mokhov; Tankabekyan Russian Journal of Organic Chemistry, 2014 , vol. 50, # 1 p. 21 - 24 Zh. Org. Khim., 2014 , vol. 50, # 1 p. 29 - 32,4

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.17158
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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