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33809-77-7,MFCD00157809
Catalog No.:AA007IPQ

33809-77-7 | 2-Acetamidobenzamide

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1mg
>95%
1 week  
$299.00   $209.00
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5mg
>95%
1 week  
$319.00   $223.00
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500mg
>95%
1 week  
$339.00   $238.00
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1g
>95%
1 week  
$414.00   $290.00
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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:
AA007IPQ
Chemical Name:
2-Acetamidobenzamide
CAS Number:
33809-77-7
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD00157809
SMILES:
CC(=O)Nc1ccccc1C(=O)N
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.3  

Downstream Synthesis Route

[1]Ramana;Sundaram;EswaraYuvaraj;GaneshBabu[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1999,vol.38,#8,p.905-908]

[2]Kostakis,IoannisK.;Elomri,Abdelhakim;Seguin,Elisabeth;Iannelli,Mauro;Besson,Thierry[TetrahedronLetters,2007,vol.48,#38,p.6609-6613]

[3]CurrentPatentAssignee:PAINCEPTORPHARMACORPORATIONINC-US2009/23773,2009,A1Locationinpatent:Page/Pagecolumn65

[4]Weddige[JournalfurpraktischeChemie(Leipzig1954),1885,vol.<2>31,p.125][JournalfuerPraktischeChemie(Leipzig),1887,vol.<2>36,p.143,144,145]

[5]Weddige[JournalfurpraktischeChemie(Leipzig1954),1885,vol.<2>31,p.125][JournalfuerPraktischeChemie(Leipzig),1887,vol.<2>36,p.143,144,145]

[6]Weddige[JournalfurpraktischeChemie(Leipzig1954),1885,vol.<2>31,p.125][JournalfuerPraktischeChemie(Leipzig),1887,vol.<2>36,p.143,144,145]

[7]Reddy,V.Prabhakar;Prasunamba,P.L.;Reddy,P.S.N.;Ratnam,C.V.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1983,vol.22,#9,p.917-918]

[8]Segarra,Victor;Crespo,M.Isabel;Pujol,Ferran;Beleta,Jorge;Domenech,Teresa;Miralpeix,Montserrat;Palacios,JoseM.;Castro,Ana;Martinez,Ana[BioorganicandMedicinalChemistryLetters,1998,vol.8,#5,p.505-510]

[9]Locationinpatent:experimentalpartChandrika,PMani;Yakaiah;Narsaiah;Sridhar;Venugopal;Rao,JVenkateshwara;Kumar,KPranay;Murthy;Rao,ARaghuRam[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2009,vol.48,#6,p.840-847]

[10]Locationinpatent:experimentalpartKabri;Gellis;Vanelle[GreenChemistry,2009,vol.11,#2,p.201-208]

[11]Venkatesh,Ramineni;Kasaboina,Suresh;Gaikwad,HanmantK.;Janardhan,Sridhara;Bantu,Rajashaker;Nagarapu,Lingaiah;Sastry,G.Narahari;Banerjee,SanjayK.[EuropeanJournalofMedicinalChemistry,2015,vol.96,p.22-29]

Literature

Title: Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs.

Journal: The Journal of chemical physics 20080628

Title: Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction.

Journal: Acta crystallographica. Section B, Structural science 20061001

Title: Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculations.

Journal: The journal of physical chemistry. A 20060112

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SDS
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