| CAS Number | 90269-13-9 |
| Catalog Number | AG00GYBW(AGN-PC-0VQADM) |
| Chemical Name | 2-(1H-imidazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-imidazol-1-ylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-5(6(9)10)8-3-2-7-4-8;/h2-5H,1H3,(H,9,10);1H |
| InChI Key | KPMNIMWDXWDUCS-UHFFFAOYSA-N |
| MDL Number | MFCD03161186 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | Cl.CC(N1C=NC=C1)C(O)=O |
| Synonyms | 2-(1H-imidazol-1-yl)propanoic acid hydrochloride,
90269-13-9,
2-Imidazol-1-yl-propionic acid,
2-Imidazol-1-yl-propionic acid hydrochloride,
CTK7I4742,
AC1Q3998,
AKOS015849722,
MCULE-6250259665,
NE52682,
TR-043476,
2-imidazol-1-ylPropanoic acid hydrochloride,
FT-0678447,
2-(imidazol-1-yl)propanoic acid hydrochloride,
EN300-40143,
F8881-3519,
Z415636668,
2-IMIDAZOL-1-YL-PROPIONICACID,
2-Imidazol-1-yl-propionic acidhydrochloride,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number