Home Nitriles 1H-Imidazole-1-acetonitrile,alpha,2-dimethyl-(9CI)

1H-Imidazole-1-acetonitrile,alpha,2-dimethyl-(9CI)

CAS No.:
139958-54-6
Catalog Number:
AG00AHFF
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
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Product Description
Catalog Number:
AG00AHFF
Chemical Name:
1H-Imidazole-1-acetonitrile,alpha,2-dimethyl-(9CI)
CAS Number:
139958-54-6
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD16079389
IUPAC Name:
2-(2-methylimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C7H9N3/c1-6(5-8)10-4-3-9-7(10)2/h3-4,6H,1-2H3
InChI Key:
ICQLQVWXFUWFRI-UHFFFAOYSA-N
SMILES:
CC(n1ccnc1C)C#N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.08g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.17g/mol
Monoisotopic Mass:
135.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties