| CAS Number | 1212322-57-0 |
| Catalog Number | AG01A8B4(AGN-PC-0WCN33) |
| Chemical Name | (1R,5S,6R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride |
| IUPAC Name | (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride |
| InChI | InChI=1S/C6H8F3N.ClH/c7-6(8,9)5-3-1-10-2-4(3)5;/h3-5,10H,1-2H2;1H/t3-,4+,5?; |
| InChI Key | RJEVOPRUJWDKRJ-FLGDEJNQSA-N |
| MDL Number | MFCD15209724 |
| Molecular Formula | C6H9ClF3N |
| Molecular Weight | 187.5906 |
| SMILES | Cl.FC([C@@H]1[C@@H]2[C@H]1CNC2)(F)F |
| Synonyms | 1212322-57-0,
(1*R,5S*,6S*)-6-(Trifluoromethyl)-3-azabicyclo-[3.1.0]hexane hydrochloride,
(1R,5S,6r)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride,
cis-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride,
trans-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride,
DTXSID00672589,
trans-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]-hexane hydrochloride,
AKOS026705689,
AKOS026744702,
F8889-8643,
(1S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride,
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride,
(1R,5S)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane--hydrogen chloride (1/1),
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.59g/mol |
| Monoisotopic Mass | 187.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number