| CAS Number | 1178372-90-1 |
| Catalog Number | AG01A54I(AGN-PC-0WOBC3) |
| Chemical Name | 3,5-Difluoro-4-(piperidin-1-yl)aniline |
| IUPAC Name | 3,5-difluoro-4-piperidin-1-ylaniline |
| InChI | InChI=1S/C11H14F2N2/c12-9-6-8(14)7-10(13)11(9)15-4-2-1-3-5-15/h6-7H,1-5,14H2 |
| InChI Key | CKKZUIOLIHARES-UHFFFAOYSA-N |
| MDL Number | MFCD12778444 |
| Molecular Formula | C11H14F2N2 |
| Molecular Weight | 212.2391 |
| SMILES | NC1=CC(F)=C(N2CCCCC2)C(F)=C1 |
| Synonyms | 3,5-difluoro-4-(piperidin-1-yl)aniline,
1178372-90-1,
SCHEMBL238377,
CKKZUIOLIHARES-UHFFFAOYSA-N,
ZINC38039804,
AKOS010244527,
NE15547,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.244g/mol |
| Monoisotopic Mass | 212.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number