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694501-34-3,MFCD04214667
Catalog No.:AA00IBV5

694501-34-3 | 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$123.00   $86.00
- +
5g
98%
in stock  
$393.00   $275.00
- +
25g
98%
in stock  
$837.00 $586.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IBV5
Chemical Name:
1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine
CAS Number:
694501-34-3
Molecular Formula:
C12H16FN3O2
Molecular Weight:
253.2727
MDL Number:
MFCD04214667
SMILES:
CCN1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
290  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2007/71752,2007,A2Locationinpatent:Page/Pagecolumn86

[2]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoPharma(in:SumitomoChemical)-US2010/204221,2010,A1Locationinpatent:Page/Pagecolumn25

[3]CurrentPatentAssignee:ABBVIEINC-WO2011/53476,2011,A1Locationinpatent:Page/Pagecolumn239

[4]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2007/71752,2007,A2Locationinpatent:Page/Pagecolumn86

[2]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoPharma(in:SumitomoChemical)-US2010/204221,2010,A1Locationinpatent:Page/Pagecolumn25

[3]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

[1]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

[1]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

Literature
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SDS
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Tags:694501-34-3 Molecular Formula|694501-34-3 MDL|694501-34-3 SMILES|694501-34-3 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine
Catalog No.: AA00IBV5
694501-34-3,MFCD04214667
694501-34-3 | 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine
Pack Size： 1g
Purity： 98%
in stock
$123.00 $86.00
Pack Size： 5g
Purity： 98%
in stock
$393.00 $275.00
Pack Size： 25g
Purity： 98%
in stock
$837.00 $586.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IBV5
Chemical Name: 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine
CAS Number: 694501-34-3
Molecular Formula: C12H16FN3O2
Molecular Weight: 253.2727
MDL Number: MFCD04214667
SMILES: CCN1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
Properties
Complexity: 290  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
5308-25-8    369-34-6    694501-34-3 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2007/71752,2007,A2Locationinpatent:Page/Pagecolumn86

[2]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoPharma(in:SumitomoChemical)-US2010/204221,2010,A1Locationinpatent:Page/Pagecolumn25

[3]CurrentPatentAssignee:ABBVIEINC-WO2011/53476,2011,A1Locationinpatent:Page/Pagecolumn239

[4]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

694501-34-3    873537-27-0 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2007/71752,2007,A2Locationinpatent:Page/Pagecolumn86

[2]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoPharma(in:SumitomoChemical)-US2010/204221,2010,A1Locationinpatent:Page/Pagecolumn25

[3]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

694501-34-3    1580002-71-6 

[1]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

694501-34-3    1580002-63-6 

[1]Patel,KavitkumarN.;Telvekar,VikasN.[EuropeanJournalofMedicinalChemistry,2014,vol.75,p.43-56]

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