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Home Amines 99767-45-0
99767-45-0,MFCD20485816
Catalog No.:AA00366R

99767-45-0 | 2-Amino-5-cyanobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$28.00   $20.00
- +
1g
95%
in stock  
$67.00   $47.00
- +
5g
95%
in stock  
$318.00   $223.00
- +
10g
95%
in stock  
$564.00   $395.00
- +
25g
95%
in stock  
$1,408.00   $986.00
- +
  • 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:
AA00366R
Chemical Name:
2-Amino-5-cyanobenzoic acid
CAS Number:
99767-45-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD20485816
SMILES:
N#Cc1ccc(c(c1)C(=O)O)N
Properties
Properties
 
Form:
Solid  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
231  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.7  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1994,#13,p.1679-1688

[1]Patent:WO2004/18428,2004,A1,.Locationinpatent:Page347

[2]Patent:WO2014/93869,2014,A1,.Locationinpatent:Paragraph0140

[3]JournalofMedicinalChemistry,2014,vol.57,#20,p.8608-8621

[4]Patent:WO2004/18428,2004,A1,.Locationinpatent:Page370

[5]Patent:WO2004/18414,2004,A2,.Locationinpatent:Page136

[6]JournalofMedicinalChemistry,2017,vol.60,#21,p.8858-8875

[1]Patent:WO2013/109738,2013,A1,.Locationinpatent:Paragraph00140;00141

[2]Patent:WO2015/9930,2015,A2,.Locationinpatent:Paragraph00143-00144

[1]Patent:WO2014/93869,2014,A1,

[2]JournalofMedicinalChemistry,2014,vol.57,#20,p.8608-8621

[1]JournalofMedicinalChemistry,2017,vol.60,#21,p.8858-8875

Downstream Synthesis Route

[1]JournaloftheChemicalSociety.PerkintransactionsI,1994,p.1679-1688

[1]JournaloftheChemicalSociety.PerkintransactionsI,1994,p.1679-1688

[1]JournalofMedicinalChemistry,2017,vol.60,p.8858-8875

[2]Patent:WO2004/18414,2004,A2.Locationinpatent:Page137

[3]Patent:WO2015/9930,2015,A2.Locationinpatent:Paragraph00256-00257

[1]Patent:WO2004/18428,2004,A1.Locationinpatent:Page347

[2]Patent:WO2014/93869,2014,A1.Locationinpatent:Paragraph0140

[3]JournalofMedicinalChemistry,2014,vol.57,p.8608-8621

[4]Patent:WO2004/18428,2004,A1.Locationinpatent:Page370

[5]Patent:WO2004/18414,2004,A2.Locationinpatent:Page136

[6]JournalofMedicinalChemistry,2017,vol.60,p.8858-8875

[1]Patent:WO2004/18428,2004,A1.Locationinpatent:Page348

Literature
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Additional Info:
SDS
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