| CAS Number | 2044712-54-9 |
| Catalog Number | AG01BVSH |
| Chemical Name | 3-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one hydrochloride |
| IUPAC Name | 3-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride |
| InChI | InChI=1S/C11H11F3N2O.ClH/c12-11(13,14)7-1-3-8(4-2-7)16-6-5-9(15)10(16)17;/h1-4,9H,5-6,15H2;1H |
| InChI Key | UCCNPBCBOWYLJG-UHFFFAOYSA-N |
| MDL Number | MFCD30486603 |
| Molecular Formula | C11H12ClF3N2O |
| Molecular Weight | 280.674 |
| SMILES | Cl.NC1C(=O)N(C2=CC=C(C(F)(F)F)C=C2)CC1 |
| Synonyms | 3-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one hydrochloride,
2044712-54-9,
Z2689031542,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.675g/mol |
| Monoisotopic Mass | 280.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number