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Home > Imidazoles > 135009-57-3
135009-57-3 | 1-N-BUTYL-2-METHYL-4-NITROIMIDAZOLE
CAS No: 135009-57-3 Catalog No: AG003EK0 MDL No:MFCD00173738
Product Description
Catalog Number:
AG003EK0
Chemical Name:
1-N-BUTYL-2-METHYL-4-NITROIMIDAZOLE
CAS Number:
135009-57-3
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD00173738
IUPAC Name:
1-butyl-2-methyl-4-nitroimidazole
InChI:
InChI=1S/C8H13N3O2/c1-3-4-5-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3
InChI Key:
QZJVHLRSLFVNTO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)C)CCCC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Synthesis of N-alkylated derivatives of imidazole as antibacterial agents. | Bioorganic & medicinal chemistry letters 20030901 |
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