| CAS Number | 775350-26-0 |
| Catalog Number | AG01AHOM(AGN-PC-0UBWS3) |
| Chemical Name | 2-(propan-2-yl)-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-propan-2-yl-1H-imidazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H10N2O2.ClH/c1-4(2)6-8-3-5(9-6)7(10)11;/h3-4H,1-2H3,(H,8,9)(H,10,11);1H |
| InChI Key | PQTLZSXXKXMOSJ-UHFFFAOYSA-N |
| MDL Number | MFCD18838690 |
| Molecular Formula | C7H11ClN2O2 |
| Molecular Weight | 190.6274 |
| SMILES | Cl.CC(C1NC=C(C(O)=O)N=1)C |
| Synonyms | 2-(propan-2-yl)-1H-imidazole-4-carboxylic acid hydrochloride,
775350-26-0,
AKOS026729638,
MCULE-5932327084,
NE53845,
EN300-75336,
Z1259335782,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.627g/mol |
| Monoisotopic Mass | 190.051g/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