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CS-W001157 4
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3-Amino-2-azepanone

  • CAS No. 671-42-1

  • Cat. No. CS-W002296
  • Purity≥97%
  • MDL No.MFCD00064475

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

3-Amino-2-azepanone|CS-W002296

Structure of 671-42-1

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General Information

  • CAS No. 671-42-1
  • Cat. No. CS-W002296
  • Purity ≥97%
  • MDL No. MFCD00064475
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂N₂O
  • Molecular Weight 128.17
  • Synonym(s) α-amino-epsilon-caprolactam
  • SMILES O=C1NCCCCC1N

Description

3-Amino-2-azepanone features a strained seven-membered ring with adjacent amine and carbonyl functionalities, enabling direct incorporation into bioactive molecule scaffolds. This polar, bench-stable heterocycle facilitates efficient conjugation in synthetic pathways requiring nitrogen-rich, flexible linkers.

Application

3-Amino-2-azepanone serves as a versatile scaffold in medicinal chemistry, enabling the construction of nitrogen-containing heterocycles through standard functional group transformations. Its amine and ketone functionalities offer orthogonal reactivity for derivatization, while the cyclic structure provides conformational rigidity beneficial for target engagement. Bench-stable and readily purified, it functions effectively in peptide coupling, reductive amination, and cyclization protocols common in API development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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   55.12
  • LogP   -0.3862
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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