| CAS Number | 1803583-70-1 |
| Catalog Number | AG01B86N |
| Chemical Name | 2-(4-methyl-1,3-benzoxazol-2-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C10H12N2O.2ClH/c1-7-3-2-4-8-10(7)12-9(13-8)5-6-11;;/h2-4H,5-6,11H2,1H3;2*1H |
| InChI Key | QHVMZOWXJABPKG-UHFFFAOYSA-N |
| MDL Number | MFCD28246408 |
| Molecular Formula | C10H14Cl2N2O |
| Molecular Weight | 249.1370 |
| SMILES | Cl.Cl.CC1=C2C(OC(=N2)CCN)=CC=C1 |
| Synonyms | 2-(4-methyl-1,3-benzoxazol-2-yl)ethan-1-amine dihydrochloride,
1803583-70-1,
Z1992316432,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.135g/mol |
| Monoisotopic Mass | 248.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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