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39101-54-7,MFCD00060304
Catalog No.:AA003IMD

39101-54-7 | 3,5-Dimethylphenylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
99%
in stock  
$70.00   $49.00
- +
5g
98%
in stock  
$81.00   $57.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IMD
Chemical Name:
3,5-Dimethylphenylacetonitrile
CAS Number:
39101-54-7
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00060304
SMILES:
N#CCc1cc(C)cc(c1)C
Properties
Properties
 
BP:
254.5°C at 760 mmHg  
Form:
Solid  
MP:
41-44 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route
20781-06-0    39101-54-7   
6-(3,5-dimethyl-phenyl)-pyrido2,3-dpyrimidine-2,7-diamine 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2415-2420

[1]DrugResearch,2016,vol.66,p.181-188

[2]Patent:US6911450,2005,B1.Locationinpatent:Page/Pagecolumn16

[3]BioorganicandMedicinalChemistryLetters,1998,vol.8,p.1461-1466

[4]MonatsheftefurChemie,1999,vol.130,p.1499-1512

[5]AntimicrobialAgentsandChemotherapy,1998,vol.42,p.3225-3233

[1]RecueildesTravauxChimiquesdesPays-Bas,1960,vol.79,p.1211-1222

[1]JournalofHeterocyclicChemistry,2009,vol.46,p.1296-1301

[2]JournalofMedicinalChemistry,2014,vol.57,p.5169-5178

[1]AngewandteChemie-InternationalEdition,2011,vol.50,p.4470-4474

Literature
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SDS
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Tags:39101-54-7 Molecular Formula|39101-54-7 MDL|39101-54-7 SMILES|39101-54-7 3,5-Dimethylphenylacetonitrile