| CAS Number | 35373-60-5 |
| Catalog Number | AG01BIN4(AGN-PC-0RATG4) |
| Chemical Name | (2S)-1,1,1-trifluoro-3-phenylpropan-2-amine |
| IUPAC Name | (2S)-1,1,1-trifluoro-3-phenylpropan-2-amine |
| InChI | InChI=1S/C9H10F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2/t8-/m0/s1 |
| InChI Key | ISYDGOJLGJTVQL-QMMMGPOBSA-N |
| MDL Number | MFCD16817688 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | N[C@H](C(F)(F)F)CC1=CC=CC=C1 |
| Synonyms | (S)-3,3,3-Trifluoro-1-phenyl-2-propylamine,
35373-60-5,
SCHEMBL6380241,
DTXSID80654363,
ZINC25557948,
AKOS006335661,
FS-6466,
(2S)-1,1,1-Trifluoro-3-phenylpropan-2-amine,
(alphaS)-alpha-(Trifluoromethyl)benzeneethaneamine,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.181g/mol |
| Monoisotopic Mass | 189.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number