| CAS Number | 20970-49-4 |
| Catalog Number | AG01BDOL(AGN-PC-0WOS46) |
| Chemical Name | 1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride |
| IUPAC Name | 1-(3-methylimidazol-4-yl)ethanone;hydrochloride |
| InChI | InChI=1S/C6H8N2O.ClH/c1-5(9)6-3-7-4-8(6)2;/h3-4H,1-2H3;1H |
| InChI Key | IVHKNCBHCMVJMY-UHFFFAOYSA-N |
| MDL Number | MFCD28023656 |
| Molecular Formula | C6H9ClN2O |
| Molecular Weight | 160.6015 |
| SMILES | Cl.CC(C1N(C)C=NC=1)=O |
| Synonyms | 1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride,
20970-49-4,
AKOS026742210,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.601g/mol |
| Monoisotopic Mass | 160.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number