2-Ethyl-4-methylimidazole - CAS 931-36-2
Catalog: |
BB040785 |
Product Name: |
2-Ethyl-4-methylimidazole |
CAS: |
931-36-2 |
Synonyms: |
2-ethyl-5-methyl-1H-imidazole; 2-ethyl-5-methyl-1H-imidazole |
IUPAC Name: | 2-ethyl-5-methyl-1H-imidazole |
Description: | 2-Ethyl-4-methylimidazole (CAS# 931-36-2) is a useful synthetic intermediate. It can be used as a building block for active ingredients as well as in epoxy curing. |
Molecular Weight: | 110.16 |
Molecular Formula: | C6H10N2 |
Canonical SMILES: | CCC1=NC=C(N1)C |
InChI: | InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8) |
InChI Key: | ULKLGIFJWFIQFF-UHFFFAOYSA-N |
Boiling Point: | 292-295 °C |
Density: | 0.975 g/cm3 |
Solubility: | >16.5 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | After melting, yellow clear liquid |
MDL: | MFCD00005193 |
LogP: | 1.28050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P362, P363, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22058889 | 20110901 | catena-Poly[copper(II)-bis-(μ-2-ethyl-5-methyl-imidazole-4-sulfonato-κN,O:O)] | Acta crystallographica. Section E, Structure reports online |
21522849 | 20110115 | Aqua-[bis-(2-ethyl-5-methyl-1H-imidazol-4-yl-κN)methane]-oxalatocopper(II) dihydrate | Acta crystallographica. Section E, Structure reports online |
14671345 | 20031201 | The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 72.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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