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6967-29-9,MFCD00124800
Catalog No.:AA003GRW

6967-29-9 | 2-Chloro-n-(2,6-diethylphenyl)acetamide

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003GRW
Chemical Name:
2-Chloro-n-(2,6-diethylphenyl)acetamide
CAS Number:
6967-29-9
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD00124800
SMILES:
ClCC(=O)Nc1c(CC)cccc1CC
NSC Number:
68291
Properties
Properties
 
BP:
369.2±42.0 °C(Predicted)  
Form:
Solid  
MP:
128-130°C  

Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.5  

Downstream Synthesis Route

[1]ChemicalResearchinToxicology,1995,vol.8,p.209-217

[2]EuropeanJournalofMedicinalChemistry,2013,vol.62,p.301-310

[3]Chemosphere,2000,vol.41,p.1503-1508

[4]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.2705-2708

[5]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.835-844

[6]Patent:CN105566148,2016,A.Locationinpatent:Paragraph0192;0193;0194

[7]JournalofChemicalSciences,2018,vol.130

[1]Zhang,Mingming;Zhu,Weiliang;Li,Yingxia[EuropeanJournalofMedicinalChemistry,2013,vol.62,p.301-310]

[1]Pace,Vittorio;Castoldi,Laura;Holzer,Wolfgang[ChemicalCommunications,2013,vol.49,#75,p.8383-8385]

[2]Pace,Vittorio;Castoldi,Laura;Mamuye,AshenafiDamtew;Holzer,Wolfgang[Synthesis,2014,vol.46,#21,p.2897-2909]

Literature

Title: Comparative cytotoxicity of alachlor, acetochlor, and metolachlor herbicides in isolated rat and cryopreserved human hepatocytes.

Journal: Journal of biochemical and molecular toxicology 20080201

Title: Cytotoxicity of chloroacetanilide herbicide alachlor in HepG2 cells independent of CYP3A4 and CYP3A7.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070501

Title: Biodegradation of alachlor by soil streptomycetes.

Journal: Applied microbiology and biotechnology 20040601

Title: Two new chlorinated amides from Nicotiana glauca R. Graham.

Journal: Die Pharmazie 20020301

Title: Determination of alachlor and its metabolites in rat plasma and urine by liquid chromatography-electrospray ionization mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20020205

Title: In vitro metabolism of alachlor by human liver microsomes and human cytochrome P450 isoforms.

Journal: Chemico-biological interactions 19990830

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SDS
Tags:6967-29-9 Molecular Formula|6967-29-9 MDL|6967-29-9 SMILES|6967-29-9 2-Chloro-n-(2,6-diethylphenyl)acetamide