| CAS Number | 1052526-99-4 |
| Catalog Number | AG01AI00(AGN-PC-0WBXM7) |
| Chemical Name | 3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid hydrochloride |
| IUPAC Name | 3-(2-propan-2-ylimidazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H14N2O2.ClH/c1-7(2)9-10-4-6-11(9)5-3-8(12)13;/h4,6-7H,3,5H2,1-2H3,(H,12,13);1H |
| InChI Key | IBXROQZOCMEXLE-UHFFFAOYSA-N |
| MDL Number | MFCD09997682 |
| Molecular Formula | C9H15ClN2O2 |
| Molecular Weight | 218.6806 |
| SMILES | CC(C1=NC=CN1CCC(O)=O)C.[H]Cl |
| Synonyms | 1052526-99-4,
3-(2-Isopropyl-imidazol-1-yl)-propionic acid hydrochloride,
3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid hydrochloride,
3-(2-Isopropyl-imidazol-1-yl)-propionic acidhydrochloride,
MLS000067354,
CHEMBL1427911,
CTK6A6085,
AKOS015846981,
MCULE-9842377771,
SMR000124860,
TR-050002,
EN300-76295,
3-(2-isopropylimidazol-1-yl)propanoic acid hydrochloride,
Z1259339914,
CID9549448,
3-(2-Isopropyl-imidazol-1-yl)-propionic acid,
3-(2-propan-2-ylimidazol-1-yl)propanoic acid;hydrochloride,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.681g/mol |
| Monoisotopic Mass | 218.082g/mol |
| Rotatable Bond Count | 4 |
| 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