| CAS Number | 1170166-70-7 |
| Catalog Number | AG019L4J |
| Chemical Name | {[3-(4-Methoxyphenyl)-1,2-oxazol-5-yl]methyl}(methyl)amine hydrochloride |
| IUPAC Name | 1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C12H14N2O2.ClH/c1-13-8-11-7-12(14-16-11)9-3-5-10(15-2)6-4-9;/h3-7,13H,8H2,1-2H3;1H |
| InChI Key | KQABWOHXBIEJKT-UHFFFAOYSA-N |
| MDL Number | MFCD09863304 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | Cl.CNCC1ON=C(C2=CC=C(OC)C=C2)C=1 |
| Synonyms | {[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}(methyl)amine hydrochloride,
1170166-70-7,
N-{[3-(4-methoxyphenyl)isoxazol-5-yl]methyl}-N-methylamine hydrochloride,
AC1Q3BSQ,
CTK6I5551,
MCULE-1930331974,
EN300-29805,
Z235362891,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number