| CAS Number | 1989659-04-2 |
| Catalog Number | AG01B6E3 |
| Chemical Name | 1-ethyl-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-ethylimidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-2-8-3-5(6(9)10)7-4-8;/h3-4H,2H2,1H3,(H,9,10);1H |
| InChI Key | MCNNRFOAHHINHA-UHFFFAOYSA-N |
| MDL Number | MFCD30342676 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | Cl.CCN1C=C(C(O)=O)N=C1 |
| Synonyms | 1-ethyl-1H-imidazole-4-carboxylic acid hydrochloride,
1989659-04-2,
Z2568758095,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number