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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(N(C(=N1)CO)C)C |
|---|---|
| IUPAC Name | (1,4,5-trimethylimidazol-2-yl)methanol |
| InChIKey | URGOUROOMPQDGO-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N2O/c1-5-6(2)9(3)7(4-10)8-5/h10H,4H2,1-3H3 |
| Isomeric SMILES | CC1=C(N(C(=N1)CO)C)C |
| WGK Germany | 3 |
| PubChem CID | 23555772 |
| Molecular Weight | 140.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles - Tetrasubstituted imidazoles |
| Direct Parent | 1,2,4,5-tetrasubstituted imidazoles |
| Alternative Parents | N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,4,5-tetrasubstituted imidazole - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5. |
| External Descriptors | Not available |
| Molecular Weight | 140.180 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.095 Da |
| Monoisotopic Mass | 140.095 Da |
| Topological Polar Surface Area | 38.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
