| CAS Number | 2089257-13-4 |
| Catalog Number | AG01E97S |
| Chemical Name | 2,2,2-trifluoro-1-(oxan-4-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(11)5-1-3-12-4-2-5;/h5-6H,1-4,11H2;1H |
| InChI Key | MBDMWPLGAFDSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD30724037 |
| Molecular Formula | C7H13ClF3NO |
| Molecular Weight | 219.6324 |
| SMILES | Cl.FC(C(N)C1CCOCC1)(F)F |
| Synonyms | (S)-2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-4-yl)ethan-1-amine hydrochloride,
1821813-96-0,
AKOS027469391,
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-amine hydrochloride,
(R)-2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHANAMINE HCL,
2089257-13-4,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.632g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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