Home Nitriles 2-(pyrimidin-4-yl)propanedinitrile

2-(pyrimidin-4-yl)propanedinitrile

CAS No.:
1803582-85-5
Catalog Number:
AG01BB81
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
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Product Description
Catalog Number:
AG01BB81
Chemical Name:
2-(pyrimidin-4-yl)propanedinitrile
CAS Number:
1803582-85-5
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
MDL Number:
MFCD28505908
IUPAC Name:
2-pyrimidin-4-ylpropanedinitrile
InChI:
InChI=1S/C7H4N4/c8-3-6(4-9)7-1-2-10-5-11-7/h1-2,5-6H
InChI Key:
WSDCSRKFWHGYNQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccncn1)C#N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties