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Home Amines 199536-01-1
199536-01-1,MFCD20260386
Catalog No.:AA002C3D

199536-01-1 | Methyl 3-amino-5-cyanobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$13.00   $9.00
- +
1g
95%
in stock  
$27.00   $19.00
- +
5g
95%
in stock  
$82.00   $57.00
- +
10g
95%
in stock  
$156.00   $110.00
- +
25g
95%
in stock  
$316.00   $221.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002C3D
Chemical Name:
Methyl 3-amino-5-cyanobenzoate
CAS Number:
199536-01-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD20260386
SMILES:
COC(=O)c1cc(N)cc(c1)C#N
Properties
Properties
 
BP:
371.488°C at 760 mmHg  
Form:
Solid  
MP:
128°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
243  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Upstream Synthesis Route

[1]Patent:US2009/118292,2009,A1,.Locationinpatent:Page/Pagecolumn29

[2]Chemistry-AEuropeanJournal,2015,vol.21,#52,p.19231-19242

[3]AngewandteChemie-InternationalEdition,2004,vol.43,#48,p.6649-6652

[4]Patent:WO2011/137587,2011,A1,.Locationinpatent:Page/Pagecolumn55

[1]JournalofMedicinalChemistry,1997,vol.40,#25,p.4030-4052

[1]JournalofMedicinalChemistry,1997,vol.40,#25,p.4030-4052

[1]Patent:WO2011/137587,2011,A1,

[1]Patent:WO2011/137587,2011,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1997,vol.40,p.4030-4052

[1]Patent:US2009/118292,2009,A1.Locationinpatent:Page/Pagecolumn29

[2]Chemistry-AEuropeanJournal,2015,vol.21,p.19231-19242

[3]AngewandteChemie-InternationalEdition,2004,vol.43,p.6649-6652

[4]Patent:WO2011/137587,2011,A1.Locationinpatent:Page/Pagecolumn55

[1]AngewandteChemie-InternationalEdition,2004,vol.43,p.6649-6652

1955-46-0   
c-Pr-COOX(X=OHorCl) 
  199536-01-1 

[1]AngewandteChemie-InternationalEdition,2004,vol.43,p.6649-6652

[1]AngewandteChemie-InternationalEdition,2004,vol.43,p.6649-6652

Literature
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Additional Info:
SDS
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