| CAS Number | 1909336-81-7 |
| Catalog Number | AG01C4Q7 |
| Chemical Name | 4-tert-butyl-1H-imidazole-5-carboxylic acid hydrochloride |
| IUPAC Name | 5-tert-butyl-1H-imidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H12N2O2.ClH/c1-8(2,3)6-5(7(11)12)9-4-10-6;/h4H,1-3H3,(H,9,10)(H,11,12);1H |
| InChI Key | RTBRTBFMNRUPAK-UHFFFAOYSA-N |
| MDL Number | MFCD29906971 |
| Molecular Formula | C8H13ClN2O2 |
| Molecular Weight | 204.6540 |
| SMILES | Cl.CC(C1=C(C(O)=O)NC=N1)(C)C |
| Synonyms | 4-tert-butyl-1H-imidazole-5-carboxylic acid hydrochloride,
1909336-81-7,
Z2418194234,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.654g/mol |
| Monoisotopic Mass | 204.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number