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244768-32-9,MFCD08443699
Catalog No.:AA002O75

244768-32-9 | 4-N[2(4-Chloropyrimidinyl)]amino benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$83.00   $58.00
- +
5g
97%
in stock  
$213.00   $149.00
- +
25g
95%
in stock  
$988.00   $692.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002O75
Chemical Name:
4-N[2(4-Chloropyrimidinyl)]amino benzonitrile
CAS Number:
244768-32-9
Molecular Formula:
C11H7ClN4
Molecular Weight:
230.6531
MDL Number:
MFCD08443699
SMILES:
N#Cc1ccc(cc1)Nc1nccc(n1)Cl
Properties
Properties
 
BP:
441°C at 760 mmHg  
Form:
Solid  
MP:
210℃ (dec.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
266  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route
2233-18-3    244768-32-9   
4-4-(4-formyl-2,6-dimethylphenoxy)pyrimidin-2-ylaminobenzonitrile 

[1]Mordant,Celine;Schmitt,Benoit;Pasquier,Elisabeth;Demestre,Christophe;Queguiner,Laurence;Masungi,Chantal;Peeters,Anik;Smeulders,Liesbeth;Bettens,Eva;Hertogs,Kurt;Heeres,Jan;Lewi,Paul;Guillemont,Jerome[EuropeanJournalofMedicinalChemistry,2007,vol.42,#5,p.567-579]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2007/113254,2007,A1Locationinpatent:Page/Pagecolumn37

[1]EuropeanJournalofMedicinalChemistry,2007,vol.42,p.567-579

[1]Mordant,Celine;Schmitt,Benoit;Pasquier,Elisabeth;Demestre,Christophe;Queguiner,Laurence;Masungi,Chantal;Peeters,Anik;Smeulders,Liesbeth;Bettens,Eva;Hertogs,Kurt;Heeres,Jan;Lewi,Paul;Guillemont,Jerome[EuropeanJournalofMedicinalChemistry,2007,vol.42,#5,p.567-579]

[1]JournalofMedicinalChemistry,2005,vol.48,p.2072-2079

[2]JournalofMedicinalChemistry,2005,vol.48,p.2072-2079

[3]Patent:WO2013/179105,2013,A1

(2E)-3-(4-amino-3,5-dimethylphenyl)acrylonitrilehydrochloride 
  244768-32-9    500287-72-9 

[1]Patent:WO2004/16581,2004,A1.Locationinpatent:Page24

[2]Patent:WO2004/16581,2004,A1.Locationinpatent:Page23-24

[3]Patent:WO2012/147091,2012,A2.Locationinpatent:Page/Pagecolumn11

[4]Patent:WO2013/38425,2013,A1.Locationinpatent:Page/Pagecolumn10

[5]Patent:US2014/350038,2014,A1.Locationinpatent:Paragraph0091

Literature
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SDS
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Tags:244768-32-9 Molecular Formula|244768-32-9 MDL|244768-32-9 SMILES|244768-32-9 4-N[2(4-Chloropyrimidinyl)]amino benzonitrile
Catalog No.: AA002O75
244768-32-9,MFCD08443699
244768-32-9 | 4-N[2(4-Chloropyrimidinyl)]amino benzonitrile
Pack Size： 1g
Purity： 95%
in stock
$83.00 $58.00
Pack Size： 5g
Purity： 97%
in stock
$213.00 $149.00
Pack Size： 25g
Purity： 95%
in stock
$988.00 $692.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002O75
Chemical Name: 4-N[2(4-Chloropyrimidinyl)]amino benzonitrile
CAS Number: 244768-32-9
Molecular Formula: C11H7ClN4
Molecular Weight: 230.6531
MDL Number: MFCD08443699
SMILES: N#Cc1ccc(cc1)Nc1nccc(n1)Cl
Properties
BP: 441°C at 760 mmHg  
Form: Solid  
MP: 210℃ (dec.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 266  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
2233-18-3    244768-32-9   
4-4-(4-formyl-2,6-dimethylphenoxy)pyrimidin-2-ylaminobenzonitrile 

[1]Mordant,Celine;Schmitt,Benoit;Pasquier,Elisabeth;Demestre,Christophe;Queguiner,Laurence;Masungi,Chantal;Peeters,Anik;Smeulders,Liesbeth;Bettens,Eva;Hertogs,Kurt;Heeres,Jan;Lewi,Paul;Guillemont,Jerome[EuropeanJournalofMedicinalChemistry,2007,vol.42,#5,p.567-579]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2007/113254,2007,A1Locationinpatent:Page/Pagecolumn37

40800-65-5    244768-32-9    943826-94-6 

[1]EuropeanJournalofMedicinalChemistry,2007,vol.42,p.567-579

348169-39-1    244768-32-9    943827-00-7 

[1]Mordant,Celine;Schmitt,Benoit;Pasquier,Elisabeth;Demestre,Christophe;Queguiner,Laurence;Masungi,Chantal;Peeters,Anik;Smeulders,Liesbeth;Bettens,Eva;Hertogs,Kurt;Heeres,Jan;Lewi,Paul;Guillemont,Jerome[EuropeanJournalofMedicinalChemistry,2007,vol.42,#5,p.567-579]

244768-32-9    500287-72-9 

[1]JournalofMedicinalChemistry,2005,vol.48,p.2072-2079

[2]JournalofMedicinalChemistry,2005,vol.48,p.2072-2079

[3]Patent:WO2013/179105,2013,A1

(2E)-3-(4-amino-3,5-dimethylphenyl)acrylonitrilehydrochloride 
  244768-32-9    500287-72-9 

[1]Patent:WO2004/16581,2004,A1.Locationinpatent:Page24

[2]Patent:WO2004/16581,2004,A1.Locationinpatent:Page23-24

[3]Patent:WO2012/147091,2012,A2.Locationinpatent:Page/Pagecolumn11

[4]Patent:WO2013/38425,2013,A1.Locationinpatent:Page/Pagecolumn10

[5]Patent:US2014/350038,2014,A1.Locationinpatent:Paragraph0091

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