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Home Amines 5589-61-7
5589-61-7,MFCD11144682
Catalog No.:AA00DKIM

5589-61-7 | 2-(Butylamino)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$211.00   $148.00
- +
10g
98%
in stock  
$361.00   $253.00
- +
25g
98%
in stock  
$710.00   $497.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DKIM
Chemical Name:
2-(Butylamino)benzonitrile
CAS Number:
5589-61-7
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11144682
SMILES:
CCCCNc1ccccc1C#N
Properties
Computed Properties
 
Complexity:
180  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTELLASPHARMAINC.-US2002/193389,2002,A1

[2]CurrentPatentAssignee:KIRINHOLDINGSCO.,LTD.;KyowaKirin(in:KirinHoldings)-US6127541,2000,A

[1]Dong,Jiawei;Wu,Zhongjie;Liu,Zhengyi;Liu,Ping;Sun,Peipei[JournalofOrganicChemistry,2015,vol.80,#24,p.12588-12593]

[1]Suárez-Pantiga,Samuel;Hernández-Ruiz,Raquel;Virumbrales,Cintia;Pedrosa,MaríaR.;Sanz,Roberto[AngewandteChemie-InternationalEdition,2019,vol.58,#7,p.2129-2133][Angew.Chem.,2019,vol.131,#7,p.2151-2155,5]

[1]Sinai,Ádám;Simkó,DánielCs.;Szabó,Fruzsina;Paczal,Attila;Gáti,Tamás;Bényei,Attila;Novák,Zoltán;Kotschy,András[EuropeanJournalofOrganicChemistry,2020,vol.2020,#9,p.1122-1128]

Literature
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SDS
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