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Home Nitro Compounds 863453-76-3
863453-76-3,MFCD17432990
Catalog No.:AA004M86

863453-76-3 | 4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$112.00   $78.00
- +
5g
98%
in stock  
$261.00   $183.00
- +
25g
98%
in stock  
$544.00   $381.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004M86
Chemical Name:
4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline
CAS Number:
863453-76-3
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD17432990
SMILES:
[O-][N+](=O)c1ccc(cc1)NCCN1CCCC1
Properties
Properties
 
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Höglund,IisaP.J.;Silver,Satu;Engström,MiaT.;Salo,Harri;Tauber,Andrei;Kyyrönen,Hanna-Kaisa;Saarenketo,Pauli;Hoffrén,Anna-Marja;Kokko,Kurt;Pohjanoksa,Katariina;Sallinen,Jukka;Savola,Juha-Matti;Wurster,Siegfried;Kallatsa,OiliA.[JournalofMedicinalChemistry,2006,vol.49,#21,p.6351-6363]

[1]CurrentPatentAssignee:ABBVIEINC-US2007/32478,2007,A1Locationinpatent:Page/Pagecolumn146

[2]Höglund,IisaP.J.;Silver,Satu;Engström,MiaT.;Salo,Harri;Tauber,Andrei;Kyyrönen,Hanna-Kaisa;Saarenketo,Pauli;Hoffrén,Anna-Marja;Kokko,Kurt;Pohjanoksa,Katariina;Sallinen,Jukka;Savola,Juha-Matti;Wurster,Siegfried;Kallatsa,OiliA.[JournalofMedicinalChemistry,2006,vol.49,#21,p.6351-6363]

123-75-1    5198-52-7    863453-76-3   
2-(4-nitrophenylamino)ethylpyrrolidine-1-carboxylate 

[1]Morita,Yasuhiro;Ishigaki,Takeshi;Kawamura,Kuniaki;Iseki,Katsuhiko[Synthesis,2007,#16,p.2517-2523]

[1]Morita,Yasuhiro;Ishigaki,Takeshi;Kawamura,Kuniaki;Iseki,Katsuhiko[Synthesis,2007,#16,p.2517-2523]

[1]Morita,Yasuhiro;Ishigaki,Takeshi;Kawamura,Kuniaki;Iseki,Katsuhiko[Synthesis,2007,#16,p.2517-2523]

Literature
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SDS
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Tags:863453-76-3 Molecular Formula|863453-76-3 MDL|863453-76-3 SMILES|863453-76-3 4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline