3-Azaspiro[5.5]undecane hydrochloride

Name: 3-Azaspiro[5.5]undecane hydrochloride
Brand: ChemScene
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CAS No. 1125-01-5
Cat. No. CS-0029483
Molecule weight189.73
Purity≥97%
MDL No.MFCD02093801

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Azaspiro[5.5]undecane hydrochloride|CS-0029483

Structure of 1125-01-5

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General Information

CAS No. 1125-01-5
Cat. No. CS-0029483
Purity ≥97%
MDL No. MFCD02093801
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₂₀ClN
Molecular Weight 189.73
Synonym(s) 4,4-Pentamethylenepiperidine (hydrochloride)
SMILES [H]Cl.C12(CCNCC2)CCCCC1

Description

3-Azaspiro[5.5]undecane (hydrochloride) delivers a rigid, nitrogen-containing spirocyclic scaffold ideal for medicinal chemistry applications. This bench-stable, moisture-tolerant heterocycle integrates seamlessly into bioactive molecules, offering defined conformational control and enhanced solubility.

Application

3-Azaspiro[5.5]undecane (hydrochloride) serves as a conformationally constrained, nitrogen-containing bicyclic scaffold with proven utility in medicinal chemistry. Its rigid spirocyclic structure enhances target binding affinity and metabolic stability. The hydrochloride salt improves solubility and handling, enabling straightforward incorporation into diverse synthetic routes. Functions effectively as a key building block for heterocyclic libraries and API intermediates, particularly in CNS-targeted drug discovery.

Synthesis

Route1
- In-stock
  
  180-44-9
- ~74%
- In-stock
  
  1125-01-5
References
- Wang, Jun; Cady, Sarah D.; Balannik, Victoria; Pinto, Lawrence H.; DeGrado, William F.; Hong, Mei Journal of the American Chemical Society, 2009 , vol. 131, p. 8066 - 8076
Route2
- 1130-32-1
- ~77%
- In-stock
  
  1125-01-5
References
- DeGrado, William F.; Wang, Jun Patent: US2010/69420 A1, 2010 ; Location in patent: Page/Page column 7 ;

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 12.03
LogP 2.7421
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Spirol Rings compounds

Key Words

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3-Azaspiro[5.5]undecane hydrochloride

CAS No. 1125-01-5

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