| CAS Number | 1795280-95-3 |
| Catalog Number | AG01BDBY |
| Chemical Name | 2-(3-Aminopropoxy)-5-(trifluoromethyl)pyridine hydrochloride |
| IUPAC Name | 3-[5-(trifluoromethyl)pyridin-2-yl]oxypropan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H11F3N2O.ClH/c10-9(11,12)7-2-3-8(14-6-7)15-5-1-4-13;/h2-3,6H,1,4-5,13H2;1H |
| InChI Key | GTNSEVVQTIJNSX-UHFFFAOYSA-N |
| MDL Number | MFCD28023594 |
| Molecular Formula | C9H12ClF3N2O |
| Molecular Weight | 256.6526 |
| SMILES | Cl.NCCCOC1=NC=C(C(F)(F)F)C=C1 |
| Synonyms | 1795280-95-3,
2-(3-aminopropoxy)-5-(trifluoromethyl)pyridine hydrochloride,
3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propan-1-amine hydrochloride,
MCULE-5900167696,
Z1839475074,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.653g/mol |
| Monoisotopic Mass | 256.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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