| CAS Number | 81167-22-8 |
| Catalog Number | AG00GAID(AGN-PC-0UIVA6) |
| Chemical Name | 2-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-ethyl-1H-imidazole hydrochloride |
| IUPAC Name | 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole;hydrochloride |
| InChI | InChI=1S/C14H16N2O2.ClH/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11;/h3-8,11H,2,9-10H2,1H3;1H/t11-;/m1./s1 |
| InChI Key | ANDJPJNFVJXEKX-RFVHGSKJSA-N |
| MDL Number | MFCD01074788 |
| Molecular Formula | C14H17ClN2O2 |
| Molecular Weight | 280.7500 |
| SMILES | Cl.O1C2=C(OCC1CC=1N(C=CN1)CC)C=CC=C2 |
| Synonyms | 81167-22-8,
B6533,
UNII-X72FO6ZLZY component ANDJPJNFVJXEKX-RFVHGSKJSA-N,
Imiloxan hydrochloride,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 3 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number