| CAS Number | 1154673-58-1 |
| Catalog Number | AG01AHND(AGN-PC-0WO0RV) |
| Chemical Name | [1-(Trifluoromethane)sulfonylpiperidin-4-yl]methanamine |
| IUPAC Name | [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine |
| InChI | InChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-3-1-6(5-11)2-4-12/h6H,1-5,11H2 |
| InChI Key | RIQXPPXIZFHYMQ-UHFFFAOYSA-N |
| MDL Number | MFCD12086206 |
| Molecular Formula | C7H13F3N2O2S |
| Molecular Weight | 246.2505 |
| SMILES | NCC1CCN(S(C(F)(F)F)(=O)=O)CC1 |
| Synonyms | (1-trifluoromethanesulfonylpiperidin-4-yl)methanamine,
1154673-58-1,
SCHEMBL16037349,
ZINC36296839,
AKOS009630373,
MCULE-8826533467,
NE26596,
EN300-75254,
[1-(trifluoromethane)sulfonylpiperidin-4-yl]methanamine,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.248g/mol |
| Monoisotopic Mass | 246.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number