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CS-W001157 4
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N-Methyloctan-1-amine

  • CAS No. 2439-54-5

  • Cat. No. CS-0152155
  • Purity≥98%
  • MDL No.MFCD00048927

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

N-Methyloctan-1-amine|CS-0152155

Structure of 2439-54-5

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General Information

  • CAS No. 2439-54-5
  • Cat. No. CS-0152155
  • Purity ≥98%
  • MDL No. MFCD00048927
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₂₁N
  • Molecular Weight 143.27
  • Synonym(s) Octylmethylamine
  • SMILES CCCCCCCCNC

Description

N-Methyloctan-1-amine is a linear aliphatic amine featuring a methyl group on the nitrogen and a C8 alkyl chain. This structure imparts enhanced lipophilicity and improved membrane permeability, making it valuable in bioactive molecule design. The compound exhibits bench-stable handling characteristics and integrates readily into synthetic pathways requiring tertiary amine functionality.

Application

N-Methyloctan-1-amine serves as a versatile C8 alkyl amine building block, enabling efficient access to tertiary amine scaffolds in medicinal chemistry and materials science. Its linear hydrocarbon chain provides favorable solubility and lipophilicity profiles, while the secondary amine functionality facilitates straightforward derivatization via alkylation or reductive amination. The compound exhibits good bench stability and is compatible with standard purification techniques, making it a practical choice for iterative synthesis workflows.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 74, p. 1704,1707
  • Route2
    • null|null
      111-66-0
    • null|null
      3400-11-1
    • ~92%
    • In-stock
      N-Methyloctan-1-amine|CS-0152155
      2439-54-5

    References

    • Strom, Alexandra E.; Hartwig, John F. Journal of Organic Chemistry, 2013 , vol. 78, # 17 p. 8909 - 8914
  • Route3
    • In-stock
      1-Bromooctane|CS-0076039
      111-83-1
    • null|null
      74-89-5
    • ~%
    • In-stock
      N-Methyloctan-1-amine|CS-0152155
      2439-54-5
    • N-methyl-N-octyloctan-1-amine|CS-0452601
      4455-26-9

    References

    • Journal of the Chemical Society, , p. 201 Journal of the American Chemical Society, , vol. 61, p. 722

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   2.5663
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   7

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