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6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride

  • CAS No. 1414958-33-0

  • Cat. No. CS-0054897
  • Purity≥95%
  • MDL No.MFCD22689277

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

6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride|CS-0054897

Structure of 1414958-33-0

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General Information

  • CAS No. 1414958-33-0
  • Cat. No. CS-0054897
  • Purity ≥95%
  • MDL No. MFCD22689277
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀ClNO
  • Molecular Weight 135.59
  • Synonym(s) 6-oxa-3-azabicyclo[3.1.1]heptane,hydrochloride
  • SMILES [C@H]1(C2)O[C@@H]2CNC1.Cl

Description

6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride features a rigid, polar heterocyclic scaffold that enhances solubility and metabolic stability. This bench-stable, moisture-tolerant building block integrates readily into complex molecular architectures, offering predictable stereochemical control in medicinal chemistry campaigns.

Application

6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride serves as a rigid, conformationally constrained heterocyclic building block enabling efficient access to bioactive scaffolds. Its stable bicyclic core exhibits excellent functional group tolerance and facilitates late-stage derivatization in medicinal chemistry campaigns. The hydrochloride salt enhances solubility and handling for solution-phase synthesis, making it well-suited for modular assembly of targeted compound libraries.

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-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   21.26
  • LogP   0.1689
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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