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401941-54-6,MFCD03426389
Catalog No.:AA00BYZ8

401941-54-6 | (S)-1,4-Benzodioxan-2-carboxypiperazine

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Purity
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1g
98%
in stock  
$125.00   $88.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BYZ8
Chemical Name:
(S)-1,4-Benzodioxan-2-carboxypiperazine
CAS Number:
401941-54-6
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD03426389
SMILES:
O=C([C@@H]1COc2c(O1)cccc2)N1CCNCC1
Properties
Computed Properties
 
Complexity:
305  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.7  

Downstream Synthesis Route

[1]TetrahedronAsymmetry,2001,vol.12,p.2169-2174

[2]TetrahedronAsymmetry,2012,vol.23,p.1615-1623

[3]TetrahedronLetters,2013,vol.54,p.6420-6422

23680-84-4    401941-54-6   
UK-35494-27(S) 

[1]Rouf,Abdul;Aga,MushtaqA.;Kumar,Brijesh;Taneja,SubhashChandra[TetrahedronLetters,2013,vol.54,#48,p.6420-6422]

Literature
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SDS
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Tags:401941-54-6 Molecular Formula|401941-54-6 MDL|401941-54-6 SMILES|401941-54-6 (S)-1,4-Benzodioxan-2-carboxypiperazine