Home Nitriles 2-(2,6-diMethylpyriMidin-4-yl)acetonitrile

2-(2,6-diMethylpyriMidin-4-yl)acetonitrile

CAS No.:
1000933-21-0
Catalog Number:
AG008TUL
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
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Product Description
Catalog Number:
AG008TUL
Chemical Name:
2-(2,6-diMethylpyriMidin-4-yl)acetonitrile
CAS Number:
1000933-21-0
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
MDL Number:
MFCD09971472
IUPAC Name:
2-(2,6-dimethylpyrimidin-4-yl)acetonitrile
InChI:
InChI=1S/C8H9N3/c1-6-5-8(3-4-9)11-7(2)10-6/h5H,3H2,1-2H3
InChI Key:
GDTGZRWFBQLUQM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(C)nc(n1)C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties