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60758-84-1,MFCD00173874
Catalog No.:AA00E9RG

60758-84-1 | 4-Propoxybenzonitrile

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1g
97%
in stock  
$29.00   $20.00
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5g
97%
in stock  
$54.00   $38.00
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25g
97%
in stock  
$153.00   $107.00
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100g
97%
in stock  
$394.00   $276.00
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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:
AA00E9RG
Chemical Name:
4-Propoxybenzonitrile
CAS Number:
60758-84-1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00173874
SMILES:
CCCOc1ccc(cc1)C#N
NSC Number:
281621
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ACADIAPHARMACEUTICALSINC-WO2019/40107,2019,A1Locationinpatent:Paragraph00675-00676

[2]Applewhite,MalcolmJ.;Haynes,DeliaA.;Arnott,GarethE.[SupramolecularChemistry,2016,vol.28,#5-6,p.475-484]

[3]Harper,RichardW.;Herron,DavidK.;Bollinger,NancyG.;Sawyer,J.Scott;Baldwin,RonaldF.;etal.[JournalofMedicinalChemistry,1992,vol.35,#7,p.1191-1200]

[1]CurrentPatentAssignee:ACADIAPHARMACEUTICALSINC-WO2019/40107,2019,A1Locationinpatent:Paragraph00677-00678

[2]Locationinpatent:experimentalpartBertinaria,Massimo;Rolando,Barbara;Giorgis,Marta;Montanaro,Gabriele;Marini,Elisabetta;Collino,Massimo;Benetti,Elisa;Daniele,PierGiuseppe;Fruttero,Roberta;Gasco,Alberto[EuropeanJournalofMedicinalChemistry,2012,vol.54,p.103-112]

60758-84-1    67-63-0    21244-33-7   
C13H19NO 

[1]Choi,Jong-Hoo;Prechtl,MartinH.G.[ChemCatChem,2015,vol.7,#6,p.1023-1028]

[1]Catalysisscienceandtechnology,2019,vol.9,p.6092-6101

[1]Guo,Baodang;Huang,Shuping;Li,Jia;Li,Min;Liu,Xuanzhong;Rao,Yijian;Wu,Yawen;Yin,Huimin;Yuan,Zhenbo;Zhang,Yan[JournalofCatalysis,2021,vol.399,p.111-120]

Literature
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SDS
Tags:60758-84-1 Molecular Formula|60758-84-1 MDL|60758-84-1 SMILES|60758-84-1 4-Propoxybenzonitrile