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41775-76-2,MFCD00134269
Catalog No.:AA003DJ5

41775-76-2 | 1,4,7-Trioxa-10-azacyclododecane

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250mg
>98.0%(T)
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$108.00   $76.00
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1g
>98.0%(T)
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$357.00   $250.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003DJ5
Chemical Name:
1,4,7-Trioxa-10-azacyclododecane
CAS Number:
41775-76-2
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD00134269
SMILES:
C1NCCOCCOCCOC1
Properties
Properties
 
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
90.3  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
XLogP3:
-1.2  

Downstream Synthesis Route

[1]Li,Yi;Gokel,George;Hernández,Jeanette;Echegoyen,Luis[JournaloftheAmericanChemicalSociety,1994,vol.116,#7,p.3087-3096]

[1]JournaloftheChemicalSociety.Chemicalcommunications,1991,p.147-148

[2]JournaloftheChemicalSociety.PerkintransactionsII,1992,p.613-620

[3]Macromolecules,2004,vol.37,p.1871-1876

[4]JournalofOrganicChemistry,2000,vol.65,p.4342-4347

[5]OrganicandBiomolecularChemistry,2016,vol.14,p.3752-3757

[1]Arnold,KristinA.;Mallen,Jesus;Trafton,JohnE.;White,BanitaD.;Fronczek,FrankR.;etal.[JournalofOrganicChemistry,1988,vol.53,#24,p.5652-5657]

[1]Arnold,KristinA.;Mallen,Jesus;Trafton,JohnE.;White,BanitaD.;Fronczek,FrankR.;etal.[JournalofOrganicChemistry,1988,vol.53,#24,p.5652-5657]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 7Li NMR chemical shift titration and theoretical DFT calculation studies: solvent and anion effects on second-order complexation of 12-crown-4 and 1-aza-12-crown-4 with lithium cation in several aprotic solvents.

Journal: Magnetic resonance in chemistry : MRC 20100201

Title: Phosphorus-nitrogen compounds. 18. Syntheses, stereogenic properties, structural and electrochemical investigations, biological activities, and DNA interactions of new spirocyclic mono- and bisferrocenylphosphazene derivatives.

Journal: Inorganic chemistry 20091102

Title: Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20060101

Title: Adsorption and isotope effects by ion exchange with 1-aza-12-crown-4 bonded Merrifield peptide resin.

Journal: Journal of colloid and interface science 20030715

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SDS
Tags:41775-76-2 Molecular Formula|41775-76-2 MDL|41775-76-2 SMILES|41775-76-2 1,4,7-Trioxa-10-azacyclododecane