| CAS Number | 325152-99-6 |
| Catalog Number | AG00CM3E(AGN-PC-0WALXZ) |
| Chemical Name | (S)-2-Amino-2-(3-(trifluoromethyl)phenyl)ethanol hydrochloride |
| IUPAC Name | (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol |
| InChI | InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1 |
| InChI Key | OPEIEIUCYFMKJD-MRVPVSSYSA-N |
| MDL Number | MFCD09253706 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | FC(C1=CC([C@H](N)CO)=CC=C1)(F)F |
| Synonyms | (S)-2-Amino-2-(3-trifluoromethylphenyl)ethanol,
325152-99-6,
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethan-1-ol,
SCHEMBL18793794,
ZINC36949533,
AKOS015928645,
AJ-93554,
CS-15519,
CS-0041049,
ACN-054835,
(S)-2-amino-2-(3-(trifluoromethyl)phenyl)ethan-1-ol,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number