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rel-(3aR,7aS)-Octahydro-1H-isoindole hydrochloride

  • CAS No. 161829-92-1

  • Cat. No. CS-0145443
  • Purity≥98%
  • MDL No.MFCD09026400

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

rel-(3aR,7aS)-Octahydro-1H-isoindole hydrochloride|CS-0145443

Structure of 161829-92-1

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General Information

  • CAS No. 161829-92-1
  • Cat. No. CS-0145443
  • Purity ≥98%
  • MDL No. MFCD09026400
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆ClN
  • Molecular Weight 161.67
  • Synonym(s) cis-Octahydro-isoindole Hcl
  • SMILES [H][C@]12CNC[C@@]1([H])CCCC2.[H]Cl

Description

rel-(3aR,7aS)-Octahydro-1H-isoindole hydrochloride is a bench-stable, moisture-tolerant heterocyclic amine featuring a rigid, saturated isoindoline core. This configuration delivers enhanced solubility in aqueous and polar organic media, enabling efficient incorporation into medicinal chemistry campaigns. The hydrochloride salt form ensures improved crystallinity and handling stability for synthetic workflows.

Application

rel-(3aR,7aS)-Octahydro-1H-isoindole hydrochloride serves as a stable, bench-ready building block for the synthesis of nitrogen-containing heterocycles and bioactive molecules. Its saturated bicyclic core exhibits excellent functional group tolerance and facilitates efficient derivatization in standard amine coupling and reductive amination protocols. The hydrochloride salt enhances solubility and handling, enabling straightforward incorporation into medicinal chemistry and process 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   12.03
  • LogP   1.8178
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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