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Home Other Building Blocks 61108-69-8
61108-69-8,MFCD00220428
Catalog No.:AA00IAQE

61108-69-8 | 1,4-oxazepan-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$236.00   $165.00
- +
1g
95%
in stock  
$509.00   $357.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IAQE
Chemical Name:
1,4-oxazepan-3-one
CAS Number:
61108-69-8
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD00220428
SMILES:
O=C1COCCCN1
Properties
Computed Properties
 
Complexity:
92.4  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
-0.4  

Downstream Synthesis Route

[1]Grouiller,A.;Pacheco,H.[JournalofHeterocyclicChemistry,1976,vol.13,p.853-859]

61108-69-8   
1,4oxazepane-3-thione 

[1]Shankaran;Donnelly,KarlaL.;Shah,ShrenikK.;Caldwell,CharlesG.;Chen,Ping;Hagmann,WilliamK.;MacCoss,Malcolm;Humes,JohnL.;Pacholok,StephenG.;Kelly,TheresaM.;Grant,StephanK.;Wong,KennyK.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#23,p.5907-5911]

[1]Shankaran;Donnelly,KarlaL.;Shah,ShrenikK.;Caldwell,CharlesG.;Chen,Ping;Hagmann,WilliamK.;MacCoss,Malcolm;Humes,JohnL.;Pacholok,StephenG.;Kelly,TheresaM.;Grant,StephanK.;Wong,KennyK.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#23,p.5907-5911]

61108-69-8   
3-methylsulfanyl-2,5,6,7-tetrahydro-1,4oxazepine 

[1]Shankaran;Donnelly,KarlaL.;Shah,ShrenikK.;Caldwell,CharlesG.;Chen,Ping;Hagmann,WilliamK.;MacCoss,Malcolm;Humes,JohnL.;Pacholok,StephenG.;Kelly,TheresaM.;Grant,StephanK.;Wong,KennyK.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#23,p.5907-5911]

Literature
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SDS
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Tags:61108-69-8 Molecular Formula|61108-69-8 MDL|61108-69-8 SMILES|61108-69-8 1,4-oxazepan-3-one