| CAS Number | 1380300-52-6 |
| Catalog Number | AG01BF0I |
| Chemical Name | 4-[3-(Trifluoromethyl)phenyl]oxan-4-amine hydrochloride |
| IUPAC Name | 4-[3-(trifluoromethyl)phenyl]oxan-4-amine;hydrochloride |
| InChI | InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-9(8-10)11(16)4-6-17-7-5-11;/h1-3,8H,4-7,16H2;1H |
| InChI Key | JCRLMHIHKSMGAN-UHFFFAOYSA-N |
| MDL Number | MFCD22375734 |
| Molecular Formula | C12H15ClF3NO |
| Molecular Weight | 281.7018 |
| SMILES | Cl.NC1(C2=CC(C(F)(F)F)=CC=C2)CCOCC1 |
| Synonyms | 4-[3-(Trifluoromethyl)phenyl]oxan-4-amine hydrochloride,
1380300-52-6,
4-(3-(Trifluoromethyl)phenyl)tetrahydro-2H-pyran-4-amine hydrochloride,
AKOS026417825,
KS-7394,
NE33133,
Z1889706355,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.703g/mol |
| Monoisotopic Mass | 281.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number