rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

Name: rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
Brand: ChemScene
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CAS No. 135906-03-5
Cat. No. CS-0112539
Purity≥97%
MDL No.MFCD09750974

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rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride|CS-0112539

Structure of 135906-03-5

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Description

This stereodefined azabicyclic amine features a rigid, conformationally locked scaffold that enhances binding selectivity in medicinal chemistry applications. The dihydrochloride salt form improves solubility and stability for use in synthetic intermediates and drug discovery workflows.

Application

rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride serves as a conformationally constrained, chiral amine building block for medicinal chemistry applications. Its rigid bicyclic scaffold provides defined stereochemistry and enhanced metabolic stability, while the tertiary amine functionality enables facile salt formation and improved solubility. The compound functions effectively in ligand design, acts as a key intermediate in alkaloid synthesis, and demonstrates robust bench stability with compatibility across standard coupling and functionalization protocols.

General Information

CAS No. 135906-03-5
Cat. No. CS-0112539
Purity ≥97%
MDL No. MFCD09750974
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₂₀Cl₂N₂
Molecular Weight 227.17
Synonym(s) Endo-9-methyl-9-azabicyclo[3,3,1]nonan-3-amine 2HCl
SMILES CN1[C@@]2([H])C[C@@H](C[C@]1([H])CCC2)N.Cl.Cl

Computational Chemistry Data

TPSA 29.26
LogP 1.804
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

CAS No. 135906-03-5

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