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29680-52-2 | 1H-Imidazole, 5-butyl-2-methyl-
CAS No: 29680-52-2 Catalog No: AG002Z3N MDL No:
Product Description
Catalog Number:
AG002Z3N
Chemical Name:
1H-Imidazole, 5-butyl-2-methyl-
CAS Number:
29680-52-2
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
IUPAC Name:
5-butyl-2-methyl-1H-imidazole
InChI:
InChI=1S/C8H14N2/c1-3-4-5-8-6-9-7(2)10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChI Key:
YMRPKBLFDBUOAJ-UHFFFAOYSA-N
SMILES:
CCCCc1cnc([nH]1)C
Properties
Complexity:
93.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.116g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Transport properties of room-temperature ionic liquids from classical molecular dynamics. | The Journal of chemical physics 20120728 |
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