| CAS Number | 2138586-05-5 |
| Catalog Number | AG01EJAM |
| Chemical Name | 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C12H14N2O.2ClH/c1-9-11(7-8-13)14-12(15-9)10-5-3-2-4-6-10;;/h2-6H,7-8,13H2,1H3;2*1H |
| InChI Key | JWFQIBOJGXVWRN-UHFFFAOYSA-N |
| MDL Number | MFCD31559233 |
| Molecular Formula | C12H16Cl2N2O |
| Molecular Weight | 275.1742 |
| SMILES | Cl.Cl.CC1=C(CCN)N=C(C2=CC=CC=C2)O1 |
| Synonyms | 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-amine dihydrochloride,
2138586-05-5,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.173g/mol |
| Monoisotopic Mass | 274.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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