| CAS Number | 1443981-16-5 |
| Catalog Number | AG01A4WJ(AGN-PC-0WOS81) |
| Chemical Name | 1-(2-aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride |
| IUPAC Name | 1-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-one;hydrochloride |
| InChI | InChI=1S/C8H9F3N2O.ClH/c9-8(10,11)6-1-2-7(14)13(5-6)4-3-12;/h1-2,5H,3-4,12H2;1H |
| InChI Key | JBFGQTZQHIENTI-UHFFFAOYSA-N |
| MDL Number | MFCD24842773 |
| Molecular Formula | C8H10ClF3N2O |
| Molecular Weight | 242.6260 |
| SMILES | Cl.NCCN1C(=O)C=CC(C(F)(F)F)=C1 |
| Synonyms | 1-(2-aminoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride,
1443981-16-5,
AKOS026742277,
NE55433,
Z2760930589,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.626g/mol |
| Monoisotopic Mass | 242.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number