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Home Amines 40896-74-0
40896-74-0,MFCD06797955
Catalog No.:AA00BZ9H

40896-74-0 | 3-Aminomethyl-benzonitrile hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$123.00   $86.00
- +
5g
95%
in stock  
$489.00   $343.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZ9H
Chemical Name:
3-Aminomethyl-benzonitrile hydrochloride
CAS Number:
40896-74-0
Molecular Formula:
C8H9ClN2
Molecular Weight:
168.6235
MDL Number:
MFCD06797955
SMILES:
NCc1cccc(c1)C#N.Cl
Properties
Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  

Downstream Synthesis Route
40896-74-0   
2,2-Dimethyl-propionicacid6-(4-chlorocarbonyl-3-fluoro-phenyl)-prop-2-ynyl-amino-methyl}-2,7-dimethyl-4-oxo-4H-quinazolin-3-ylmethylester 
 
2,2-Dimethyl-propionicacid6-(4-(3-cyano-benzylcarbamoyl)-3-fluoro-phenyl-prop-2-ynyl-amino}-methyl)-2,7-dimethyl-4-oxo-4H-quinazolin-3-ylmethylester 

[1]JournalofMedicinalChemistry,1995,vol.38,p.994-1004

40896-74-0    153248-79-4   
3-<i>tert</i>-butoxycarbonylamino-4-(3-cyano-benzylimino)-butyricacid<i>tert</i>-butylester 

[1]JournalofMedicinalChemistry,1999,vol.42,p.3557-3571

40896-74-0    76-05-1   
3-aminomethyl-benzamidine;compoundwithtrifluoro-aceticacid 

[1]TetrahedronLetters,2004,vol.45,p.7445-7449

40896-74-0    76-05-1   
3-aminomethyl-<i>N</i>-hydroxy-benzamidine;compoundwithtrifluoro-aceticacid 

[1]TetrahedronLetters,2004,vol.45,p.7445-7449

[1]Patent:WO2009/80663,2009,A1.Locationinpatent:Page/Pagecolumn123-124

Literature

Title: Benzylamines: synthesis and evaluation of antimycobacterial properties.

Journal: Journal of medicinal chemistry 19840901

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