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88485-78-3,MFCD04114335
Catalog No.:AA0049XU

88485-78-3 | 3-(1-Methylcyclopropyl)-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$133.00   $93.00
- +
250mg
95%
in stock  
$226.00   $159.00
- +
1g
95%
in stock  
$607.00   $425.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0049XU
Chemical Name:
3-(1-Methylcyclopropyl)-3-oxopropanenitrile
CAS Number:
88485-78-3
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD04114335
SMILES:
N#CCC(=O)C1(C)CC1
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
182  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route

[1]Barnes,KeithD.;Buckle,RonaldN.;Chen,Xinchao;Herr,R.Jason;Johnson,Graham;Lin,JuinnH.;Mayhew,NicholasJ.;Mobley,WilliamC.;Nguyen,Phuong;Paquette,WilliamD.;Rynearson,KevinD.;Sakwa,SamuelA.;Tanzi,RudolphE.;Wagner,StevenL.;Yang,Jinhai[BioorganicandMedicinalChemistry,2020,vol.28,#22]

[2]CurrentPatentAssignee:ABBVIEINC-US2009/105306,2009,A1Locationinpatent:Page/Pagecolumn35

[3]CurrentPatentAssignee:ABBVIEINC-US2010/69348,2010,A1Locationinpatent:Page/Pagecolumn46;47

[4]CurrentPatentAssignee:ABBVIEINC-US2010/69348,2010,A1Locationinpatent:Page/Pagecolumn46;47

[5]CurrentPatentAssignee:ELILILLY&CO-WO2007/53394,2007,A1Locationinpatent:Page/Pagecolumn27

[6]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-WO2011/22473,2011,A1Locationinpatent:Page/Pagecolumn198-199

[7]CurrentPatentAssignee:ELILILLY&CO-WO2007/53346,2007,A1Locationinpatent:Page/Pagecolumn16

[8]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2010/66684,2010,A2Locationinpatent:Page/Pagecolumn53-54

[1]CurrentPatentAssignee:ELILILLY&CO-WO2007/53394,2007,A1Locationinpatent:Page/Pagecolumn27-28

[2]CurrentPatentAssignee:ELILILLY&CO-WO2007/53346,2007,A1Locationinpatent:Page/Pagecolumn16

[1]CurrentPatentAssignee:ELILILLY&CO-WO2007/53346,2007,A1Locationinpatent:Page/Pagecolumn16

[1]CurrentPatentAssignee:PFIZERINC-WO2011/25968,2011,A1Locationinpatent:Page/Pagecolumn61

[2]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2010/66684,2010,A2Locationinpatent:Page/Pagecolumn54

Literature
Quotation Request
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SDS
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2173991-75-6

2173991-75-6

 1049378-97-3

1049378-97-3
Tags:88485-78-3 Molecular Formula|88485-78-3 MDL|88485-78-3 SMILES|88485-78-3 3-(1-Methylcyclopropyl)-3-oxopropanenitrile
Catalog No.: AA0049XU
88485-78-3,MFCD04114335
88485-78-3 | 3-(1-Methylcyclopropyl)-3-oxopropanenitrile
Pack Size： 100mg
Purity： 95%
in stock
$133.00 $93.00
Pack Size： 250mg
Purity： 95%
in stock
$226.00 $159.00
Pack Size： 1g
Purity： 95%
in stock
$607.00 $425.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0049XU
Chemical Name: 3-(1-Methylcyclopropyl)-3-oxopropanenitrile
CAS Number: 88485-78-3
Molecular Formula: C7H9NO
Molecular Weight: 123.1525
MDL Number: MFCD04114335
SMILES: N#CCC(=O)C1(C)CC1
Properties
Form: Liquid  
Complexity: 182  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
6206-25-3    75-05-8    88485-78-3 

[1]Barnes,KeithD.;Buckle,RonaldN.;Chen,Xinchao;Herr,R.Jason;Johnson,Graham;Lin,JuinnH.;Mayhew,NicholasJ.;Mobley,WilliamC.;Nguyen,Phuong;Paquette,WilliamD.;Rynearson,KevinD.;Sakwa,SamuelA.;Tanzi,RudolphE.;Wagner,StevenL.;Yang,Jinhai[BioorganicandMedicinalChemistry,2020,vol.28,#22]

[2]CurrentPatentAssignee:ABBVIEINC-US2009/105306,2009,A1Locationinpatent:Page/Pagecolumn35

[3]CurrentPatentAssignee:ABBVIEINC-US2010/69348,2010,A1Locationinpatent:Page/Pagecolumn46;47

[4]CurrentPatentAssignee:ABBVIEINC-US2010/69348,2010,A1Locationinpatent:Page/Pagecolumn46;47

[5]CurrentPatentAssignee:ELILILLY&CO-WO2007/53394,2007,A1Locationinpatent:Page/Pagecolumn27

[6]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-WO2011/22473,2011,A1Locationinpatent:Page/Pagecolumn198-199

[7]CurrentPatentAssignee:ELILILLY&CO-WO2007/53346,2007,A1Locationinpatent:Page/Pagecolumn16

[8]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2010/66684,2010,A2Locationinpatent:Page/Pagecolumn53-54

88485-78-3    637-60-5    936240-59-4 

[1]CurrentPatentAssignee:ELILILLY&CO-WO2007/53394,2007,A1Locationinpatent:Page/Pagecolumn27-28

[2]CurrentPatentAssignee:ELILILLY&CO-WO2007/53346,2007,A1Locationinpatent:Page/Pagecolumn16

6206-25-3    88485-78-3 

[1]CurrentPatentAssignee:ELILILLY&CO-WO2007/53346,2007,A1Locationinpatent:Page/Pagecolumn16

88485-78-3    503568-73-8 

[1]CurrentPatentAssignee:PFIZERINC-WO2011/25968,2011,A1Locationinpatent:Page/Pagecolumn61

[2]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2010/66684,2010,A2Locationinpatent:Page/Pagecolumn54

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Historical Records
2173991-75-6
2173991-75-6
1049378-97-3
1049378-97-3
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