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39513-54-7,MFCD06738862
Catalog No.:AA00BYSW

39513-54-7 | Pyrimidine-4-carboxylic acid hydrazide

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Purity
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100mg
95%
in stock  
$7.00   $5.00
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250mg
95%
in stock  
$11.00   $8.00
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1g
95%
in stock  
$39.00   $28.00
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100g
98%
in stock  
$3,637.00   $2,546.00
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  • 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:
AA00BYSW
Chemical Name:
Pyrimidine-4-carboxylic acid hydrazide
CAS Number:
39513-54-7
Molecular Formula:
C5H6N4O
Molecular Weight:
138.1273
MDL Number:
MFCD06738862
SMILES:
NNC(=O)c1ccncn1
Properties
Computed Properties
 
Complexity:
127  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
-1  

Upstream Synthesis Route

[1]Patent:WO2007/150026,2007,A2,.Locationinpatent:Page/Pagecolumn69

[1]BulletindesSocietesChimiquesBelges,1957,vol.66,p.276,289

[2]YakugakuZasshi,1953,vol.73,p.598,600

[3]Chem.Abstr.,1954,p.9362

[4]ZhurnalObshcheiKhimii,1955,vol.25,p.2313,2314,2315;engl.Ausg.S.2285,2286

[5]GazzettaChimicaItaliana,1952,vol.82,p.652,655,660

[6]JournaloftheAmericanChemicalSociety,1953,vol.75,p.1933,1934

[1]InorganicChemistry,2018,vol.57,#11,p.6266-6282

[1]JournalofMedicinalChemistry,2017,vol.60,#16,p.6942-6990

[2]InorganicChemistry,2018,vol.57,#11,p.6266-6282

[1]JournalofMedicinalChemistry,2017,vol.60,#16,p.6942-6990

[2]InorganicChemistry,2018,vol.57,#11,p.6266-6282

Downstream Synthesis Route

[1]BulletindesSocietesChimiquesBelges,1957,vol.66,p.276,289

[1]Patent:WO2007/150026,2007,A2.Locationinpatent:Page/Pagecolumn69

[1]Patent:WO2007/150026,2007,A2.Locationinpatent:Page/Pagecolumn69

Literature

Title: Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives.

Journal: Journal of medicinal chemistry 20040715

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