| CAS Number | 1171228-13-9 |
| Catalog Number | AG019UCE |
| Chemical Name | N-(2-aminoethyl)-2-(trifluoromethyl)benzamide hydrochloride |
| IUPAC Name | N-(2-aminoethyl)-2-(trifluoromethyl)benzamide;hydrochloride |
| InChI | InChI=1S/C10H11F3N2O.ClH/c11-10(12,13)8-4-2-1-3-7(8)9(16)15-6-5-14;/h1-4H,5-6,14H2,(H,15,16);1H |
| InChI Key | YLJSNSHLRQAXBY-UHFFFAOYSA-N |
| MDL Number | MFCD11857800 |
| Molecular Formula | C10H12ClF3N2O |
| Molecular Weight | 268.6633 |
| SMILES | Cl.NCCNC(C1=C(C(F)(F)F)C=CC=C1)=O |
| Synonyms | N-(2-aminoethyl)-2-(trifluoromethyl)benzamide hydrochloride,
1171228-13-9,
AC1Q3DDF,
CTK7E8832,
AKOS025449712,
MCULE-5202258455,
EN300-41237,
Z1352878000,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.664g/mol |
| Monoisotopic Mass | 268.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number