Home Amines 33786-93-5
33786-93-5,MFCD08705269
Catalog No.:AA003IHW
33786-93-5 | 3,5-Diaminobenzonitrile
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Purity
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1g
95%
2 weeks  
$833.00   $583.00
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5g
95%
2 weeks  
$2,069.00   $1,449.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IHW
Chemical Name:
3,5-Diaminobenzonitrile
CAS Number:
33786-93-5
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
MDL Number:
MFCD08705269
IUPAC Name:
3,5-diaminobenzonitrile
InChI:
InChI=1S/C7H7N3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,9-10H2
InChI Key:
PWINPIZUWNKSPS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1)N
Properties
Computed Properties
 
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
133.154g/mol
Monoisotopic Mass:
133.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
3,5-Diaminobenzonitrile 
33786-93-5 
PWINPIZUWNKSPS-UHFFFAOYSA-N 
MFCD08705269 
ZINC39333579 
AKOS006338113 
TC-169972 
J-019321 
ACMC-20andp 
3,5-diamino-benzonitrile 
Benzonitrile,3,5-diamino- 
Benzonitrile, 3,5-diamino- 
SCHEMBL2011602 
3,5-Diaminobenzonitrile, 97% 
CTK4H1234 
DTXSID30512525 
Literature

Title: Stepwise aromatic nucleophilic substitution in continuous flow. Synthesis of an unsymmetrically substituted 3,5-diamino-benzonitrile library.

Journal: Molecular diversity 20110801

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