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177548-00-4,MFCD15200968
Catalog No.:AA0025B5

177548-00-4 | 1-Benzyl-1h-indole-4-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0025B5
Chemical Name:
1-Benzyl-1h-indole-4-carbonitrile
CAS Number:
177548-00-4
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
MDL Number:
MFCD15200968
SMILES:
N#Cc1cccc2c1ccn2Cc1ccccc1
Properties
Computed Properties
 
Complexity:
323  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US5877199,1999,A

[1]CurrentPatentAssignee:KARUSTHERAPEUTICSLIMITED-WO2011/135351,2011,A1Locationinpatent:Page/Pagecolumn26

[2]CurrentPatentAssignee:KARUSTHERAPEUTICSLIMITED-US2013/109688,2013,A1Locationinpatent:Paragraph0130-0133

[3]Patra,Tuhin;Agasti,Soumitra;Akanksha;Maiti,Debabrata[ChemicalCommunications,2013,vol.49,#1,p.69-71]

Literature
Quotation Request
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SDS
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Tags:177548-00-4 Molecular Formula|177548-00-4 MDL|177548-00-4 SMILES|177548-00-4 1-Benzyl-1h-indole-4-carbonitrile
Catalog No.: AA0025B5
177548-00-4,MFCD15200968
177548-00-4 | 1-Benzyl-1h-indole-4-carbonitrile
Pack Size： 1g
Purity： 95%
in stock
$81.00 $57.00
Pack Size： 5g
Purity： 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0025B5
Chemical Name: 1-Benzyl-1h-indole-4-carbonitrile
CAS Number: 177548-00-4
Molecular Formula: C16H12N2
Molecular Weight: 232.2799
MDL Number: MFCD15200968
SMILES: N#Cc1cccc2c1ccn2Cc1ccccc1
Properties
Complexity: 323  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
16136-52-0    177548-00-4 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US5877199,1999,A

16136-52-0    100-39-0    177548-00-4 

[1]CurrentPatentAssignee:KARUSTHERAPEUTICSLIMITED-WO2011/135351,2011,A1Locationinpatent:Page/Pagecolumn26

[2]CurrentPatentAssignee:KARUSTHERAPEUTICSLIMITED-US2013/109688,2013,A1Locationinpatent:Paragraph0130-0133

[3]Patra,Tuhin;Agasti,Soumitra;Akanksha;Maiti,Debabrata[ChemicalCommunications,2013,vol.49,#1,p.69-71]

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