| CAS Number | 124044-49-1 |
| Catalog Number | AG019U7V(AGN-PC-0PHQU1) |
| Chemical Name | 3-Amino-1,1,1-trifluoro-4-phenylbutan-2-ol |
| IUPAC Name | 3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol |
| InChI | InChI=1S/C10H12F3NO/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6,14H2 |
| InChI Key | OCZXOWATVOYDFC-UHFFFAOYSA-N |
| MDL Number | MFCD02258342 |
| Molecular Formula | C10H12F3NO |
| Molecular Weight | 219.2036 |
| SMILES | NC(C(C(F)(F)F)O)CC1=CC=CC=C1 |
| Synonyms | 3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol,
124044-49-1,
3-amino-1,1,1-trifluoro-4-phenyl-2-butanol,
AC1Q509O,
SCHEMBL6556276,
CTK7D4187,
OCZXOWATVOYDFC-UHFFFAOYSA-N,
AKOS009113646,
MCULE-2022425704,
NE39897,
SC-30776,
Z1938,
EN300-40849,
C10H12F3NO,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.207g/mol |
| Monoisotopic Mass | 219.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number