| CAS Number | 52855-69-3 |
| Catalog Number | AG019W1W(AGN-PC-0SDQAU) |
| Chemical Name | ethyl 2-(1-benzyl-1H-imidazol-2-yl)acetate hydrochloride |
| IUPAC Name | ethyl 2-(1-benzylimidazol-2-yl)acetate;hydrochloride |
| InChI | InChI=1S/C14H16N2O2.ClH/c1-2-18-14(17)10-13-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-9H,2,10-11H2,1H3;1H |
| InChI Key | YSQFZJHHRLGAFV-UHFFFAOYSA-N |
| MDL Number | MFCD12912815 |
| Molecular Formula | C14H17ClN2O2 |
| Molecular Weight | 280.7500 |
| SMILES | Cl.CCOC(CC1N(CC2=CC=CC=C2)C=CN=1)=O |
| Synonyms | ethyl 2-(1-benzyl-1H-imidazol-2-yl)acetate hydrochloride,
52855-69-3,
AC1Q39XN,
SCHEMBL7016527,
CTK6F8534,
MCULE-4055002038,
NE15607,
TX-017563,
EN300-50226,
Z752370718,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.752g/mol |
| Monoisotopic Mass | 280.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number