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83505-77-5 | 1H-Imidazole-1-carbonitrile, 2,5-diethyl-
CAS No: 83505-77-5 Catalog No: AG00506Z MDL No:
Product Description
Catalog Number:
AG00506Z
Chemical Name:
1H-Imidazole-1-carbonitrile, 2,5-diethyl-
CAS Number:
83505-77-5
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
IUPAC Name:
2,5-diethylimidazole-1-carbonitrile
InChI:
InChI=1S/C8H11N3/c1-3-7-5-10-8(4-2)11(7)6-9/h5H,3-4H2,1-2H3
InChI Key:
GDNOWTYFLAVDLJ-UHFFFAOYSA-N
SMILES:
CCc1ncc(n1C#N)CC
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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