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CS-W001157 4
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3-Cyclohexylpropan-1-amine

  • CAS No. 4361-44-8

  • Cat. No. CS-0054184
  • Purity≥95%
  • MDL No.None

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

3-Cyclohexylpropan-1-amine|CS-0054184

Structure of 4361-44-8

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General Information

  • CAS No. 4361-44-8
  • Cat. No. CS-0054184
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₉N
  • Molecular Weight 141.25
  • Synonym(s) Cyclohexanepropylamine(6CI,7CI,8CI)
  • SMILES NCCCC1CCCCC1

Description

3-Cyclohexylpropan-1-amine features a linear aliphatic chain terminating in a primary amine, flanked by a cyclohexyl group that imparts significant hydrophobic character and conformational rigidity. This structure supports its use in ligand design and as a building block for bioactive molecules requiring enhanced membrane permeability and metabolic stability.

Application

3-Cyclohexylpropan-1-amine serves as a versatile bifunctional building block in medicinal chemistry, enabling the construction of bioactive scaffolds through amine-mediated coupling reactions. Its aliphatic amine functionality exhibits excellent reactivity in amide bond formation and conjugate addition processes, while the cyclohexyl ring imparts favorable lipophilic character and conformational rigidity. The compound demonstrates good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and intermediate development in API discovery workflows.

Synthesis

  • Route1
    • null|null
      144290-77-7
    • ~94%
    • In-stock
      3-Cyclohexylpropan-1-amine|CS-0054184
      4361-44-8

    References

    • Buschauer, A; Friese-Kimmel A; Baumann, G; Schunack, W European Journal of Medicinal Chemistry, 1992 , vol. 27, # 4 p. 321 - 330
  • Route2
    • 3-Cyclohexylpropanenitrile|CS-0248127
      41010-09-7
    • ~%
    • In-stock
      3-Cyclohexylpropan-1-amine|CS-0054184
      4361-44-8

    References

    • Skinner et al. Journal of the American Chemical Society, 1957 , vol. 79, p. 2843,2845
  • Route3
    • (3-Chloropropyl)cyclohexane|CS-0509389
      1124-62-5
    • ~%
    • In-stock
      3-Cyclohexylpropan-1-amine|CS-0054184
      4361-44-8

    References

    • Buschauer, A; Friese-Kimmel A; Baumann, G; Schunack, W European Journal of Medicinal Chemistry, 1992 , vol. 27, # 4 p. 321 - 330

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-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.3056
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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