| CAS Number | 335653-61-7 |
| Catalog Number | AG01AG1R(AGN-PC-0WOAA3) |
| Chemical Name | [1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine |
| IUPAC Name | [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine |
| InChI | InChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2 |
| InChI Key | BLNSEFCVKGFFBT-UHFFFAOYSA-N |
| MDL Number | MFCD11131610 |
| Molecular Formula | C8H15F3N2 |
| Molecular Weight | 196.2133 |
| SMILES | C1CN(CCC1CN)CC(F)(F)F |
| Synonyms | [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine,
335653-61-7,
4-Piperidinemethanamine, 1-(2,2,2-trifluoroethyl)-,
SCHEMBL2583587,
BLNSEFCVKGFFBT-UHFFFAOYSA-N,
ZINC19843457,
AKOS000210524,
NE22993,
4-aminomethyl-1-(2,2,2-trifluoroethyl)piperidine,
F2148-0290,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.217g/mol |
| Monoisotopic Mass | 196.119g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number