| CAS Number | 173843-58-8 |
| Catalog Number | AG00HZMJ(AGN-PC-0WR2WV) |
| Chemical Name | 6-METHYL-3-(PIPERIDIN-4-YL)BENZO[D] OXAZOL-2(3H)-ONE HCL |
| IUPAC Name | 6-methyl-3-piperidin-4-yl-1,3-benzoxazol-2-one;hydrochloride |
| InChI | InChI=1S/C13H16N2O2.ClH/c1-9-2-3-11-12(8-9)17-13(16)15(11)10-4-6-14-7-5-10;/h2-3,8,10,14H,4-7H2,1H3;1H |
| InChI Key | OKUFXXLCSFLJAX-UHFFFAOYSA-N |
| MDL Number | MFCD16620972 |
| Molecular Formula | C13H17ClN2O2 |
| Molecular Weight | 268.7393 |
| SMILES | Cc1ccc2c(c1)oc(=O)n2C1CCNCC1.Cl |
| Synonyms | 173843-58-8,
6-Methyl-3-(piperidin-4-yl)benzo[d] oxazol-2(3H)-one HCl,
6-Methyl-3-(piperidin-4-yl)benzo[d]oxazol-2(3H)-one hydrochloride,
MFCD16620972,
AKOS027252436,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.741g/mol |
| Monoisotopic Mass | 268.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number