| CAS Number | 2031258-49-6 |
| Catalog Number | AG01B76X |
| Chemical Name | 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one hydrochloride |
| IUPAC Name | 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride |
| InChI | InChI=1S/C11H14N2O2.ClH/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14;/h2-5H,1,6-8,12H2;1H |
| InChI Key | UEUMCDIHLQNGNT-UHFFFAOYSA-N |
| MDL Number | MFCD30345163 |
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.7020 |
| SMILES | Cl.NCC1=CC=C(N2C(=O)OCCC2)C=C1 |
| Synonyms | 3-[4-(aminomethyl)phenyl]-1,3-oxazinan-2-one hydrochloride,
2031258-49-6,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.703g/mol |
| Monoisotopic Mass | 242.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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