| CAS Number | 58177-25-6 |
| Catalog Number | AG01DWIE(AGN-PC-0NI6XB) |
| Chemical Name | 2-(1-Methyl-1H-imidazol-4-yl)ethanol |
| IUPAC Name | 2-(1-methylimidazol-4-yl)ethanol |
| InChI | InChI=1S/C6H10N2O/c1-8-4-6(2-3-9)7-5-8/h4-5,9H,2-3H2,1H3 |
| InChI Key | HFVTWLTWRVRJLS-UHFFFAOYSA-N |
| MDL Number | MFCD21336088 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | CN1C=C(CCO)N=C1 |
| Synonyms | 1H-Imidazole-4-ethanol, 1-methyl-,
58177-25-6,
1-Methyl-1H-imidazole-4-ethanol,
2-(1-Methyl-1H-imidazol-4-yl)ethanol,
SCHEMBL9597765,
CTK1E0420,
DTXSID70481786,
AKOS023405344,
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| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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