| CAS Number | 1341870-70-9 |
| Catalog Number | AG01BEPB |
| Chemical Name | 4-(3-Fluoro-4-methoxyphenyl)oxan-4-amine |
| IUPAC Name | 4-(3-fluoro-4-methoxyphenyl)oxan-4-amine |
| InChI | InChI=1S/C12H16FNO2/c1-15-11-3-2-9(8-10(11)13)12(14)4-6-16-7-5-12/h2-3,8H,4-7,14H2,1H3 |
| InChI Key | OMELEVFIVOEGDI-UHFFFAOYSA-N |
| MDL Number | MFCD03129268 |
| Molecular Formula | C12H16FNO2 |
| Molecular Weight | 225.2593 |
| SMILES | COC1=C(F)C=C(C2(CCOCC2)N)C=C1 |
| Synonyms | 4-(3-fluoro-4-methoxyphenyl)oxan-4-amine,
1341870-70-9,
4-(3-Fluoro-4-methoxyphenyl)tetrahydro-2H-pyran-4-amine,
ZINC63077092,
AKOS012522797,
MCULE-7379751406,
NE45620,
Z1874937242,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.263g/mol |
| Monoisotopic Mass | 225.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number