| CAS Number | 847837-36-9 |
| Catalog Number | AG00G3VG |
| Chemical Name | 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine |
| IUPAC Name | 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine |
| InChI | InChI=1S/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2 |
| InChI Key | WWZHELMAWQPKCQ-UHFFFAOYSA-N |
| MDL Number | MFCD07325231 |
| Molecular Formula | C14H19F3N2 |
| Molecular Weight | 272.3093 |
| SMILES | FC(CNC1CCN(CC2=CC=CC=C2)CC1)(F)F |
| Synonyms | 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine,
847837-36-9,
AC1NLQZD,
AC1Q4K7Y,
CTK7B7184,
HMS1745G21,
ZINC4207064,
AKOS009008034,
MCULE-8822653166,
NE13526,
EN300-13836,
J-504319,
Z90542411,
CID4962677,
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylamine hydrochloride,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.315g/mol |
| Monoisotopic Mass | 272.15g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number