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Home > Imidazoles > 87587-77-7
87587-77-7 | 3-ethyl-1-methyl-imidazole
CAS No: 87587-77-7 Catalog No: AG008EP8 MDL No:
Product Description
Catalog Number:
AG008EP8
Chemical Name:
3-ethyl-1-methyl-imidazole
CAS Number:
87587-77-7
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
IUPAC Name:
1-ethyl-3-methyl-2H-imidazole
InChI:
InChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3
InChI Key:
IBZJNLWLRUHZIX-UHFFFAOYSA-N
SMILES:
CCN1C=CN(C1)C
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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