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Home Nitriles 4-Aminophthalonitrile

4-Aminophthalonitrile

CAS No.:
56765-79-8
Catalog Number:
AG00372E
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$50
- +
25g
97%
In Stock USA
United States
$150
- +
100g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00372E
Chemical Name:
4-Aminophthalonitrile
CAS Number:
56765-79-8
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD00041741
IUPAC Name:
4-aminobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2
InChI Key:
RRCAJFYQXKPXOJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1C#N
EC Number:
260-370-6
NSC Number:
309814
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and photophysical properties of tetra- and octasubstituted phosphorous oxide triazatetrabenzcorrole photosensitizers. Metal-based drugs 20080101
1-((S)-gamma-substituted prolyl)-(S)-2-cyanopyrrolidine as a novel series of highly potent DPP-IV inhibitors. Bioorganic & medicinal chemistry letters 20050516
Properties