| CAS Number | 1171540-72-9 |
| Catalog Number | AG019UF0(AGN-PC-0WOC0Z) |
| Chemical Name | 2-methyl-3-(2-methyl-1H-imidazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-methyl-3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C8H12N2O2.ClH/c1-6(8(11)12)5-10-4-3-9-7(10)2;/h3-4,6H,5H2,1-2H3,(H,11,12);1H |
| InChI Key | ICUSGRRAXUVNQH-UHFFFAOYSA-N |
| MDL Number | MFCD07197528 |
| Molecular Formula | C8H13ClN2O2 |
| Molecular Weight | 204.6540 |
| SMILES | Cl.CC(C(O)=O)CN1C(C)=NC=C1 |
| Synonyms | 2-methyl-3-(2-methyl-1H-imidazol-1-yl)propanoic acid hydrochloride,
1171540-72-9,
AC1Q396B,
CTK6A3318,
AKOS026729948,
MCULE-9745829470,
NE51292,
EN300-41455,
Z57912371,
F3250-0586,
696646-15-8,
|
| Complexity | 172 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.654g/mol |
| Monoisotopic Mass | 204.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number