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Home Nitriles 2-(Pyrazin-2-yl)acetonitrile

2-(Pyrazin-2-yl)acetonitrile

CAS No.:
5117-44-2
Catalog Number:
AG00DIL8
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$214
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Product Description
Catalog Number:
AG00DIL8
Chemical Name:
2-(Pyrazin-2-yl)acetonitrile
CAS Number:
5117-44-2
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD10697794
IUPAC Name:
2-pyrazin-2-ylacetonitrile
InChI:
InChI=1S/C6H5N3/c7-2-1-6-5-8-3-4-9-6/h3-5H,1H2
InChI Key:
IMDVGMNGUNXHQJ-UHFFFAOYSA-N
SMILES:
C(c1cnccn1)C#N
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
n-Butyl 2-(3-chloro-1,2-dihydro-pyrazin-2-yl-idene)-2-cyano-acetate. Acta crystallographica. Section E, Structure reports online 20090901
Pyrazino[2,3-b]indolizine-10-carbonitrile. Acta crystallographica. Section E, Structure reports online 20090401
2-(3-Chloro-1,2-dihydro-pyrazin-2-yl-idene)malononitrile. Acta crystallographica. Section E, Structure reports online 20090301
Properties