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CS-W001157 4
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2-(Azepan-1-yl)ethan-1-amine

  • CAS No. 51388-00-2

  • Cat. No. CS-0112526
  • Molecule weight142.24
  • Purity≥95%
  • MDL No.MFCD00046120

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

2-(Azepan-1-yl)ethan-1-amine|CS-0112526

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General Information

  • CAS No. 51388-00-2
  • Cat. No. CS-0112526
  • Purity ≥95%
  • MDL No. MFCD00046120
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₈N₂
  • Molecular Weight 142.24
  • Synonym(s) 2-(Azepan-1-yl)ethanamine
  • SMILES NCCN1CCCCCC1

Description

2-(Azepan-1-yl)ethan-1-amine is a versatile amine building block featuring a seven-membered azepane ring linked to an ethylamine tether. This structure imparts enhanced solubility and tunable basicity, enabling efficient incorporation into bioactive molecules. The flexible alkyl chain facilitates conjugation in medicinal chemistry applications.

Application

2-(Azepan-1-yl)ethan-1-amine serves as a versatile bifunctional building block in medicinal chemistry, combining a secondary amine and a flexible alkyl chain for conjugate addition and amide coupling reactions. Its azepane ring provides moderate basicity and enhanced metabolic stability compared to smaller heterocycles, while the ethylene linker enables efficient incorporation into diverse scaffolds. Bench-stable and readily purified by standard chromatography, it functions effectively in the synthesis of kinase inhibitors and CNS-targeted compounds.

Synthesis

  • Route1
    • 2-(Azepan-1-yl)acetonitrile|CS-0453642
      54714-50-0
    • ~35%
    • In-stock
      2-(Azepan-1-yl)ethan-1-amine|CS-0112526
      51388-00-2

    References

    • AUCKLAND UNISERVICES LIMITED Patent: WO2006/104406 A1, 2006 ; Location in patent: Page/Page column 168 ;
  • Route2
    • null|null
      93111-55-8
    • ~86%
    • In-stock
      2-(Azepan-1-yl)ethan-1-amine|CS-0112526
      51388-00-2

    References

    • Fazio, Michael J. Journal of Organic Chemistry, 1984 , vol. 49, # 25 p. 4889 - 4893
  • Route3
    • null|null
      111-49-9
    • ~%
    • In-stock
      2-(Azepan-1-yl)ethan-1-amine|CS-0112526
      51388-00-2

    References

    • Fazio, Michael J. Journal of Organic Chemistry, 1984 , vol. 49, # 25 p. 4889 - 4893

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.26
  • LogP   0.8211
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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