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Home Amines 3544-25-0
3544-25-0,MFCD00007912
Catalog No.:AA003KOA

3544-25-0 | 4-Aminophenylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$8.00   $6.00
- +
10g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$21.00   $15.00
- +
100g
95%
in stock  
$80.00   $56.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003KOA
Chemical Name:
4-Aminophenylacetonitrile
CAS Number:
3544-25-0
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00007912
SMILES:
N#CCc1ccc(cc1)N
Properties
Properties
 
BP:
312°C at 760 mmHg  
Form:
Solid  
MP:
45-48 °C(lit.)  
Refractive Index:
1.6231 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
137  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.2  

Literature

Title: 4-Chloro-anilinium 4-methyl-benzene-sulfonate.

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

Title: 3-Fluoro-anilinium 4-methyl-benzene-sulfonate.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: 3-Chloro-anilinium 4-methyl-benzene-sulfonate.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: 4-(cyanomethyl)anilinium perchlorate: a new displacive-type molecular ferroelectric.

Journal: Physical review letters 20110930

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: 4-(Cyano-meth-yl)anilinium chloride.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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SDS
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