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AE31647

1065608-51-6 | tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% in stock $160.00 $112.00 -   +
500mg 95% in stock $236.00 $165.00 -   +
1g 95% in stock $349.00 $244.00 -   +

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Description
Catalog Number: AE31647
Chemical Name: tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate
CAS Number: 1065608-51-6
Molecular Formula: C12H23NO3
Molecular Weight: 229.3159
MDL Number: MFCD18088895
SMILES: OCC1CCCN(CC1)C(=O)OC(C)(C)C

 

Computed Properties
Complexity: 235  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
XLogP3: 1.5  

 

 

Upstream Synthesis Route 
  • Utilizing tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate in chemical synthesis serves as a crucial intermediate in the creation of various pharmaceutical compounds and complex organic molecules. This versatile compound functions as a valuable building block with potential applications in the fabrication of drug candidates, agrochemicals, and materials science. By incorporating tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate into synthetic routes, chemists can strategically introduce functional groups and stereochemical elements, enabling precise control over the structure and properties of the final products. Its unique chemical reactivity and structural attributes make it an indispensable tool for the synthesis of biologically active compounds and intricate organic frameworks.
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