| CAS Number | 1241340-57-7 |
| Catalog Number | AG01A9SD |
| Chemical Name | 2-Methyl-6-[(piperidin-4-yl)carbonyl]-3,4-dihydro-2h-1,4-benzoxazin-3-one hydrochloride |
| IUPAC Name | 2-methyl-6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one;hydrochloride |
| InChI | InChI=1S/C15H18N2O3.ClH/c1-9-15(19)17-12-8-11(2-3-13(12)20-9)14(18)10-4-6-16-7-5-10;/h2-3,8-10,16H,4-7H2,1H3,(H,17,19);1H |
| InChI Key | HKIMZVHVAHPDRK-UHFFFAOYSA-N |
| MDL Number | MFCD16817437 |
| Molecular Formula | C15H19ClN2O3 |
| Molecular Weight | 310.7760 |
| SMILES | Cl.CC1C(=O)NC2=C(C=CC(C(C3CCNCC3)=O)=C2)O1 |
| Synonyms | 2-methyl-6-(piperidine-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride,
1241340-57-7,
2-methyl-6-[(piperidin-4-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride,
AC1Q39LM,
AKOS008125718,
MCULE-1685868096,
NE26231,
EN300-66003,
Z234896531,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.778g/mol |
| Monoisotopic Mass | 310.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number