2-Azabicyclo[2.2.1]heptane hydrochloride

Name: 2-Azabicyclo[2.2.1]heptane hydrochloride
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CAS No. 63838-50-6
Cat. No. CS-0067833
Molecule weight133.62
Purity≥97%
MDL No.MFCD13516979

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2-Azabicyclo[2.2.1]heptane hydrochloride|CS-0067833

Structure of 63838-50-6

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General Information

CAS No. 63838-50-6
Cat. No. CS-0067833
Purity ≥97%
MDL No. MFCD13516979
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₁₂ClN
Molecular Weight 133.62
Synonym(s) None
SMILES [H]Cl.C1(C2)NCC2CC1

Description

2-Azabicyclo[2.2.1]heptane hydrochloride delivers a rigid, nitrogen-containing scaffold ideal for probing conformational constraints in medicinal chemistry. This bench-stable salt features a strained bicyclic core that enhances metabolic stability while enabling precise spatial orientation of functional groups. Its protonated tertiary amine facilitates solubility and ion-pairing in synthetic transformations, streamlining incorporation into bioactive molecules.

Application

2-Azabicyclo[2.2.1]heptane hydrochloride serves as a conformationally constrained azabicyclic scaffold with proven utility in medicinal chemistry. Its rigid structure enforces defined spatial orientation of substituents, enabling precise control over molecular geometry in target molecules. The hydrochloride salt enhances bench stability and solubility, facilitating handling and purification. It functions effectively as a bioisostere for cyclohexane or piperidine motifs, participating reliably in standard functionalization reactions including nucleophilic substitution and reductive amination.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 12.03
LogP 1.1801
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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2-Azabicyclo[2.2.1]heptane hydrochloride

CAS No. 63838-50-6

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