| CAS Number | 1181458-98-9 |
| Catalog Number | AG019VEQ |
| Chemical Name | 1-(2,6-difluorophenyl)propan-2-amine hydrochloride |
| IUPAC Name | 1-(2,6-difluorophenyl)propan-2-amine;hydrochloride |
| InChI | InChI=1S/C9H11F2N.ClH/c1-6(12)5-7-8(10)3-2-4-9(7)11;/h2-4,6H,5,12H2,1H3;1H |
| InChI Key | MDIBMDIWHFUNPH-UHFFFAOYSA-N |
| MDL Number | MFCD12197144 |
| Molecular Formula | C9H12ClF2N |
| Molecular Weight | 207.6481 |
| SMILES | Cl.CC(CC1=C(F)C=CC=C1F)N |
| Synonyms | 1-(2,6-difluorophenyl)propan-2-amine hydrochloride,
1181458-98-9,
AC1Q398O,
CTK6A6962,
MCULE-8930510691,
NE50876,
EN300-45039,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.649g/mol |
| Monoisotopic Mass | 207.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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