Home Indole and Oxindoles 16886-00-3
16886-00-3,MFCD18809041
Catalog No.:AA00AS1Z

16886-00-3 | 1H-Indole,3-(1-methylethyl)-(9CI)

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Purity
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Price(USD)
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100mg
97%
in stock  
$37.00   $26.00
- +
250mg
97%
in stock  
$63.00   $44.00
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1g
97%
in stock  
$164.00   $115.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AS1Z
Chemical Name:
1H-Indole,3-(1-methylethyl)-(9CI)
CAS Number:
16886-00-3
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD18809041
SMILES:
CC(c1c[nH]c2c1cccc2)C
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Cornforth;Robinson[JournaloftheChemicalSociety,1942,p.680]

[1]Locationinpatent:experimentalpartVu,AnT.;Cohn,StephenT.;Zhang,Puwen;Kim,CallainY.;Mahaney,PaigeE.;Bray,JeniferA.;Johnston,GraceH.;Koury,ElizabethJ.;Cosmi,ScottA.;Deecher,DarleneC.;Smith,ValerieA.;Harrison,JamesE.;Leventhal,Liza;Whiteside,GarthT.;Kennedy,JeffreyD.;Trybulski,EugeneJ.[JournalofMedicinalChemistry,2010,vol.53,#5,p.2051-2062]

[2]Trenkler[JustusLiebigsAnnalenderChemie,1888,vol.248,p.106]

[1]Trenkler[JustusLiebigsAnnalenderChemie,1888,vol.248,p.106]

[2]Snyder;Smith[JournaloftheAmericanChemicalSociety,1943,vol.65,p.2452]

[1]Pindur,Ulf;Deschner,Rainer[JournalofHeterocyclicChemistry,1988,vol.25,p.1199-1203]

[2]Pindur,Ulf;Deschner,Rainer[JournalofHeterocyclicChemistry,1988,vol.25,p.1199-1203]

[1]Pindur,Ulf;Deschner,Rainer[JournalofHeterocyclicChemistry,1988,vol.25,p.1199-1203]

Literature
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SDS
Tags:16886-00-3 Molecular Formula|16886-00-3 MDL|16886-00-3 SMILES|16886-00-3 1H-Indole,3-(1-methylethyl)-(9CI)