| CAS Number | 1803583-40-5 |
| Catalog Number | AG01B1AM(AGN-PC-0WOQD9) |
| Chemical Name | 3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride |
| IUPAC Name | 3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride |
| InChI | InChI=1S/C8H13F3N2.2ClH/c9-8(10,11)7(12)5-13-3-1-6(7)2-4-13;;/h6H,1-5,12H2;2*1H |
| InChI Key | CJKZPLPAMZUQPE-UHFFFAOYSA-N |
| MDL Number | MFCD28012180 |
| Molecular Formula | C8H15Cl2F3N2 |
| Molecular Weight | 267.1193 |
| SMILES | Cl.Cl.NC1(C(F)(F)F)C2CCN(CC2)C1 |
| Synonyms | 3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride,
1803583-40-5,
AKOS026740968,
Z2442033776,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.117g/mol |
| Monoisotopic Mass | 266.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number