| CAS Number | 1248926-63-7 |
| Catalog Number | AG01AJ7I(AGN-PC-0WO9T4) |
| Chemical Name | 1-(2-fluoro-5-methylphenyl)piperidin-3-amine |
| IUPAC Name | 1-(2-fluoro-5-methylphenyl)piperidin-3-amine |
| InChI | InChI=1S/C12H17FN2/c1-9-4-5-11(13)12(7-9)15-6-2-3-10(14)8-15/h4-5,7,10H,2-3,6,8,14H2,1H3 |
| InChI Key | KWRYAKLAVSLUNX-UHFFFAOYSA-N |
| MDL Number | MFCD16074656 |
| Molecular Formula | C12H17FN2 |
| Molecular Weight | 208.2752 |
| SMILES | CC1=CC(N2CC(N)CCC2)=C(F)C=C1 |
| Synonyms | 1-(2-fluoro-5-methylphenyl)piperidin-3-amine,
1248926-63-7,
AKOS008148232,
MCULE-9035745345,
NE50557,
EN300-79961,
Z1269702284,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.28g/mol |
| Monoisotopic Mass | 208.138g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number