3-Methylazetidine-3-carbonitrile hydrochloride

Name: 3-Methylazetidine-3-carbonitrile hydrochloride
Brand: ChemScene
Availability: InStock
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CAS No. 936850-33-8
Cat. No. CS-0038571
Molecule weight132.59
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Methylazetidine-3-carbonitrile hydrochloride|CS-0038571

Structure of 936850-33-8

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General Information

CAS No. 936850-33-8
Cat. No. CS-0038571
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₉ClN₂
Molecular Weight 132.59
Synonym(s) 3-METHYL-3-AZETIDINECARBONITRILE HYDROCHLORIDE
SMILES CC1(C#N)CNC1.Cl

Description

3-Methylazetidine-3-carbonitrile hydrochloride is a bench-stable, moisture-tolerant heterocyclic building block featuring a strained four-membered ring with a methyl and nitrile group at the 3-position. This polar, protonatable scaffold integrates readily into bioactive molecules, enabling efficient access to constrained scaffolds in medicinal chemistry and chemical biology applications.

Application

3-Methylazetidine-3-carbonitrile hydrochloride serves as a versatile building block for medicinal chemistry, enabling efficient access to nitrogen-containing heterocycles. Its azetidine core offers enhanced metabolic stability and improved solubility profiles, while the nitrile group provides a handle for downstream transformations such as amidation or reduction. The hydrochloride salt ensures excellent bench stability and ease of handling, facilitating straightforward purification and compatibility with standard synthetic workflows.

Synthesis

Route1
- 936850-09-8
- ~91%
- In-stock
  
  936850-33-8
References
- Hendricks, Robert Than; Hermann, Johannes; Kondru, Rama; Lou, Yan; Lynch, Stephen M.; Owens, Timothy D.; Soth, Michael Patent: US2011/230462 A1, 2011 ; Location in patent: Page/Page column 90 ; US 20110230462 A1

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

Quality Control

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Computational Chemistry Data

TPSA 35.82
LogP 0.54128
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Azetidine compounds

Key Words

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3-Methylazetidine-3-carbonitrile hydrochloride

CAS No. 936850-33-8

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