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Home Amines 438554-06-4
438554-06-4,MFCD12188574
Catalog No.:AA0072TJ

438554-06-4 | 3-Nitro-4-(propylamino)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$29.00   $20.00
- +
5g
95%
in stock  
$45.00   $32.00
- +
25g
95%
in stock  
$112.00   $78.00
- +
100g
95%
in stock  
$311.00   $218.00
- +
500g
95%
in stock  
$1,208.00   $846.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0072TJ
Chemical Name:
3-Nitro-4-(propylamino)benzonitrile
CAS Number:
438554-06-4
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD12188574
SMILES:
CCCNc1ccc(cc1[N+](=O)[O-])C#N
Properties
Computed Properties
 
Complexity:
266  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2002,vol.10,p.2589-2596

[2]RecueildesTravauxChimiquesdesPays-Bas,1941,vol.60,p.811,813,815

[3]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.5907-5910

[1]Patent:US2003/69257,2003,A1

[1]Patent:EP1550657,2005,A1.Locationinpatent:Page/Pagecolumn118

[2]Patent:EP1724263,2006,A1.Locationinpatent:Page/Pagecolumn22-23

[1]Journaloflabelledcompoundsandradiopharmaceuticals,2011,vol.54,p.411-417

Literature

Title: 3-Nitro-4-(propyl-amino)-benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

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SDS
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