| CAS Number | 1389320-33-5 |
| Catalog Number | AG01B1QH(AGN-PC-0WOUN8) |
| Chemical Name | (S)-1,1,1-Trifluoro-3-methyl-2-butylamine hydrochloride |
| IUPAC Name | (2S)-1,1,1-trifluoro-3-methylbutan-2-amine;hydrochloride |
| InChI | InChI=1S/C5H10F3N.ClH/c1-3(2)4(9)5(6,7)8;/h3-4H,9H2,1-2H3;1H/t4-;/m0./s1 |
| InChI Key | WBDZKNFDWWBZJN-WCCKRBBISA-N |
| MDL Number | MFCD22380035 |
| Molecular Formula | C5H11ClF3N |
| Molecular Weight | 177.5957 |
| SMILES | CC(C)[C@@H](C(F)(F)F)N.Cl |
| Synonyms | 1389320-33-5,
(2S)-1,1,1-trifluoro-3-methylbutan-2-amine hydrochloride,
(S)-1,1,1-Trifluoro-3-methyl-2-butylamine hydrochloride,
AKOS026671950,
FS-5558,
MCULE-2408012646,
NE34878,
(S)-1,1,1-Trifluoro-3-methyl-2-butylaminehydrochloride,
Z1741978732,
|
| Complexity | 86.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.595g/mol |
| Monoisotopic Mass | 177.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number