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Home Amines 355022-17-2
355022-17-2,MFCD02093833
Catalog No.:AA007ASQ

355022-17-2 | 4-(Isopropylamino)-3-nitrobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$15.00   $11.00
- +
1g
98%
in stock  
$41.00   $29.00
- +
5g
98%
in stock  
$136.00   $96.00
- +
25g
98%
in stock  
$469.00   $328.00
- +
100g
98%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007ASQ
Chemical Name:
4-(Isopropylamino)-3-nitrobenzonitrile
CAS Number:
355022-17-2
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD02093833
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)C
Properties
Computed Properties
 
Complexity:
276  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.9  

Downstream Synthesis Route

[1]ArchivderPharmazie,2001,vol.334,p.148-152

[2]BioorganicandMedicinalChemistry,2002,vol.10,p.2589-2596

[1]Goeker,Hakan;Tuncbilek,Meral;Suezen,Sibel;Kus,Canan;Altanlar,Nurten[ArchivderPharmazie,2001,vol.334,#5,p.148-152]

[2]Göker,Hakan;Kuş,Canan;Boykin,DavidW.;Yildiz,Sulhiye;Altanlar,Nurten[BioorganicandMedicinalChemistry,2002,vol.10,#8,p.2589-2596]

[3]CurrentPatentAssignee:JIANGNANUNIVERSITY;ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN111848599,2020,ALocationinpatent:Paragraph0125-0128;0130

[4]Semple,Graeme;Skinner,PhilipJ.;Cherrier,MartinC.;Webb,PeterJ.;Sage,CarletonR.;Tamura,SusanY.;Chen,Ruoping;Richman,JeremyG.;Connolly,DanielT.[JournalofMedicinalChemistry,2006,vol.49,#4,p.1227-1230]

[5]Farahat,AbdelbassetA.;Guo,Pu;Shoeib,Hadir;Paul,Ananya;Boykin,DavidW.;Wilson,W.David[Chemistry-AEuropeanJournal,2020,vol.26,#20,p.4539-4551]

64-17-5    355022-17-2   
4-isopropylamino-3-nitro-benzimidicacidethylester;hydrochloride 

[1]Goeker,Hakan;Alp,Mehmet;Yildiz,Sulhiye[Molecules,2005,vol.10,#11,p.1377-1386]

[1]CurrentPatentAssignee:JIANGNANUNIVERSITY;ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN111848599,2020,ALocationinpatent:Paragraph0125-0129

[2]Semple,Graeme;Skinner,PhilipJ.;Cherrier,MartinC.;Webb,PeterJ.;Sage,CarletonR.;Tamura,SusanY.;Chen,Ruoping;Richman,JeremyG.;Connolly,DanielT.[JournalofMedicinalChemistry,2006,vol.49,#4,p.1227-1230]

[3]Farahat,AbdelbassetA.;Guo,Pu;Shoeib,Hadir;Paul,Ananya;Boykin,DavidW.;Wilson,W.David[Chemistry-AEuropeanJournal,2020,vol.26,#20,p.4539-4551]

355022-17-2   
N-isopropyl-2-nitro-4-(2H-tetrazol-5-yl)benzeneamine 

[1]Skinner,PhilipJ.;Cherrier,MartinC.;Webb,PeterJ.;Sage,CarletonR.;Dang,HuongT.;Pride,CameronC.;Chen,Ruoping;Tamura,SusanY.;Richman,JeremyG.;Connolly,DanielT.;Semple,Graeme[BioorganicandMedicinalChemistryLetters,2007,vol.17,#23,p.6619-6622]

Literature

Title: 4-Isopropyl-amino-3-nitro-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

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