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Home Nitriles 4,5-Diaminophthalonitrile

4,5-Diaminophthalonitrile

CAS No.:
129365-93-1
Catalog Number:
AG000Z3T
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
1 week
United States
$94
- +
1g
95%
1 week
United States
$289
- +
5g
95%
1 week
United States
$794
- +
Product Description
Catalog Number:
AG000Z3T
Chemical Name:
4,5-Diaminophthalonitrile
CAS Number:
129365-93-1
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD02376082
IUPAC Name:
4,5-diaminobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2
InChI Key:
PCKAZQYWUDIFQM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)c(cc1C#N)N
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
2,3-Dicyano-4-[(4-methyl-phenyl-sulfon-yl)-oxy]phenyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20110401
5,6-Diphenyl-pyrazine-2,3-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20090901
4,5-Diamino-benzene-1,2-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20090401
Properties