Home Nitriles 4,5-dimethyl-1H-imidazole-2-carbonitrile

4,5-dimethyl-1H-imidazole-2-carbonitrile

CAS No.:
1238058-12-2
Catalog Number:
AG01B6U2
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
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Product Description
Catalog Number:
AG01B6U2
Chemical Name:
4,5-dimethyl-1H-imidazole-2-carbonitrile
CAS Number:
1238058-12-2
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD24609967
IUPAC Name:
4,5-dimethyl-1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C6H7N3/c1-4-5(2)9-6(3-7)8-4/h1-2H3,(H,8,9)
InChI Key:
VEJJTIVGAPRBKJ-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c(c(n1)C)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties