Home Indole and Oxindoles 885278-80-8
885278-80-8,MFCD07371632
Catalog No.:AA00477Y

885278-80-8 | 2,3-Dihydro-1h-indole-4-carbonitrile

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250mg
95%
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$273.00   $191.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00477Y
Chemical Name:
2,3-Dihydro-1h-indole-4-carbonitrile
CAS Number:
885278-80-8
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD07371632
SMILES:
N#Cc1cccc2c1CCN2.Cl
Properties
Properties
 
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Patent:WO2012/6202,2012,A1.Locationinpatent:Page/Pagecolumn85-86

[2]Patent:WO2012/6203,2012,A1.Locationinpatent:Page/Pagecolumn114-115

[1]JournalofMedicinalChemistry,2014,vol.57,p.2462-2471

[1]Rimpiläinen,Tatu;Nunes,Alexandra;Calado,Rita;Fernandes,AnaS.;Andrade,Joana;Ntungwe,Epole;Spengler,Gabriella;Szemerédi,Nikoletta;Rodrigues,João;Gomes,JoãoPaulo;Rijo,Patricia;Candeias,NunoR.[EuropeanJournalofMedicinalChemistry,2021,vol.220]

[2]Zhang,Wenzheng;Xu,Guangyang;Qiu,Lin;Sun,Jiangtao[OrganicandBiomolecularChemistry,2018,vol.16,#21,p.3889-3892]

[1]Beller,Matthias;Lu,Guo-Ping;Ma,Rui;Neumann,Helfried;Shan,Hongbin;Sun,Kangkang;Wang,Peng[ChemicalScience,2022]

Literature
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Tags:885278-80-8 Molecular Formula|885278-80-8 MDL|885278-80-8 SMILES|885278-80-8 2,3-Dihydro-1h-indole-4-carbonitrile