| CAS Number | 1275596-06-9 |
| Catalog Number | AG01B5AX |
| Chemical Name | 2-trifluoromethanesulfonylethan-1-amine hydrochloride |
| IUPAC Name | 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C3H6F3NO2S.ClH/c4-3(5,6)10(8,9)2-1-7;/h1-2,7H2;1H |
| InChI Key | JRCJKUXIPDCNAA-UHFFFAOYSA-N |
| MDL Number | MFCD29991992 |
| Molecular Formula | C3H7ClF3NO2S |
| Molecular Weight | 213.6064 |
| SMILES | Cl.NCCS(C(F)(F)F)(=O)=O |
| Synonyms | 2-trifluoromethanesulfonylethan-1-amine hydrochloride,
1275596-06-9,
SCHEMBL11897744,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.599g/mol |
| Monoisotopic Mass | 212.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number