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29147-88-4,MFCD00143323
Catalog No.:AA002XDO

29147-88-4 | 4-N-Heptyloxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95+%
in stock  
$35.00   $25.00
- +
1g
95+%
in stock  
$89.00   $62.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002XDO
Chemical Name:
4-N-Heptyloxybenzonitrile
CAS Number:
29147-88-4
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
MDL Number:
MFCD00143323
SMILES:
CCCCCCCOc1ccc(cc1)C#N
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
210  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Gallardo,H.;Begnini,I.M.[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1995,vol.258,p.85-94]

[1]Zhou,Yimin;Ma,Chao;Gao,Nengyue;Wang,Qiong;Lo,Pui-Chi;Wong,KamSing;Xu,Qing-Hua;Kinoshita,Takumi;Ng,DennisK.P.[JournalofMaterialsChemistryB,2018,vol.6,#35,p.5570-5581]

[2]Gallardo,H.;Begnini,I.M.[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1995,vol.258,p.85-94]

[1]Tunoori,AshokRao;Dutta,Dinah;Georg,GundaI.[TetrahedronLetters,1998,vol.39,#48,p.8751-8754]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/90454,2013,A2Locationinpatent:Paragraph00249

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2014/201172,2014,A1Locationinpatent:Paragraph00410;00443

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2016/94729,2016,A1Locationinpatent:Paragraph00507

Literature
Quotation Request
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SDS
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Tags:29147-88-4 Molecular Formula|29147-88-4 MDL|29147-88-4 SMILES|29147-88-4 4-N-Heptyloxybenzonitrile
Catalog No.: AA002XDO
29147-88-4,MFCD00143323
29147-88-4 | 4-N-Heptyloxybenzonitrile
Pack Size： 250mg
Purity： 95+%
in stock
$35.00 $25.00
Pack Size： 1g
Purity： 95+%
in stock
$89.00 $62.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA002XDO
Chemical Name: 4-N-Heptyloxybenzonitrile
CAS Number: 29147-88-4
Molecular Formula: C14H19NO
Molecular Weight: 217.3068
MDL Number: MFCD00143323
SMILES: CCCCCCCOc1ccc(cc1)C#N
Properties
Form: Solid  
Complexity: 210  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
Downstream Synthesis Route
29147-88-4    147080-46-4 

[1]Gallardo,H.;Begnini,I.M.[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1995,vol.258,p.85-94]

629-04-9    767-00-0    29147-88-4 

[1]Zhou,Yimin;Ma,Chao;Gao,Nengyue;Wang,Qiong;Lo,Pui-Chi;Wong,KamSing;Xu,Qing-Hua;Kinoshita,Takumi;Ng,DennisK.P.[JournalofMaterialsChemistryB,2018,vol.6,#35,p.5570-5581]

[2]Gallardo,H.;Begnini,I.M.[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1995,vol.258,p.85-94]

111-70-6    767-00-0    29147-88-4 

[1]Tunoori,AshokRao;Dutta,Dinah;Georg,GundaI.[TetrahedronLetters,1998,vol.39,#48,p.8751-8754]

557-21-1    123732-04-7    29147-88-4 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/90454,2013,A2Locationinpatent:Paragraph00249

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2014/201172,2014,A1Locationinpatent:Paragraph00410;00443

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2016/94729,2016,A1Locationinpatent:Paragraph00507

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