| CAS Number | 1260812-60-9 |
| Catalog Number | AG01A2SU(AGN-PC-0WOUF5) |
| Chemical Name | 2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride |
| IUPAC Name | 2-amino-4,4,4-trifluorobutan-1-ol;hydrochloride |
| InChI | InChI=1S/C4H8F3NO.ClH/c5-4(6,7)1-3(8)2-9;/h3,9H,1-2,8H2;1H |
| InChI Key | CNKRJGZIEXFZSW-UHFFFAOYSA-N |
| MDL Number | MFCD15526872 |
| Molecular Formula | C4H9ClF3NO |
| Molecular Weight | 179.5686 |
| SMILES | Cl.NC(CC(F)(F)F)CO |
| Synonyms | 2-AMINO-4,4,4-TRIFLUOROBUTAN-1-OL HYDROCHLORIDE,
1260812-60-9,
(S)-2-amino-4,4,4-trifluorobutan-1-ol hydrochloride,
SCHEMBL1515661,
AKOS025395451,
SC-35357,
2-Amino-4,4,4-trifluoro-1-butanol hydrochloride,
1268883-25-5,
|
| Complexity | 82.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.567g/mol |
| Monoisotopic Mass | 179.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number