Home Nitriles 2-Methyl-2-(pyrimidin-2-yl)propanenitrile

2-Methyl-2-(pyrimidin-2-yl)propanenitrile

CAS No.:
1849313-91-2
Catalog Number:
AG00I1IT
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
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Product Description
Catalog Number:
AG00I1IT
Chemical Name:
2-Methyl-2-(pyrimidin-2-yl)propanenitrile
CAS Number:
1849313-91-2
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
MDL Number:
MFCD29972349
IUPAC Name:
2-methyl-2-pyrimidin-2-ylpropanenitrile
InChI:
InChI=1S/C8H9N3/c1-8(2,6-9)7-10-4-3-5-11-7/h3-5H,1-2H3
InChI Key:
PLZCBGHQYSALLP-UHFFFAOYSA-N
SMILES:
N#CC(c1ncccn1)(C)C
Properties
Complexity:
171  
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:
0.8  
Properties