| CAS Number | 1354949-98-6 |
| Catalog Number | AG019RTU(AGN-PC-0WOQQQ) |
| Chemical Name | 3-Methyl-2-[(2,2,2-trifluoroethyl)amino]butanamide hydrochloride |
| IUPAC Name | 3-methyl-2-(2,2,2-trifluoroethylamino)butanamide;hydrochloride |
| InChI | InChI=1S/C7H13F3N2O.ClH/c1-4(2)5(6(11)13)12-3-7(8,9)10;/h4-5,12H,3H2,1-2H3,(H2,11,13);1H |
| InChI Key | LOCFAQMARXRUGQ-UHFFFAOYSA-N |
| MDL Number | MFCD08445096 |
| Molecular Formula | C7H14ClF3N2O |
| Molecular Weight | 234.6471 |
| SMILES | Cl.CC(C(C(N)=O)NCC(F)(F)F)C |
| Synonyms | 3-methyl-2-[(2,2,2-trifluoroethyl)amino]butanamide hydrochloride,
1354949-98-6,
EN300-90485,
AKOS026741252,
MCULE-1777305479,
NE44958,
Z1262398502,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.647g/mol |
| Monoisotopic Mass | 234.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number