| CAS Number | 1019477-18-9 |
| Catalog Number | AG019X1X |
| Chemical Name | (2-Hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl)(methyl)amine |
| IUPAC Name | 1-(methylamino)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol |
| InChI | InChI=1S/C11H14F3NO2/c1-15-6-8(16)7-17-10-5-3-2-4-9(10)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3 |
| InChI Key | BYKGDONZKFTWKH-UHFFFAOYSA-N |
| MDL Number | MFCD11135144 |
| Molecular Formula | C11H14F3NO2 |
| Molecular Weight | 249.2296 |
| SMILES | CNCC(COC1=C(C(F)(F)F)C=CC=C1)O |
| Synonyms | {2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl}(methyl)amine,
1019477-18-9,
1-(methylamino)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol,
CTK6I5269,
AC1Q4132,
AKOS000216882,
AKOS022487444,
MCULE-3628380589,
NE18340,
EN300-53813,
Z1222331436,
(2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl)(methyl)amine,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.233g/mol |
| Monoisotopic Mass | 249.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number