| CAS Number | 2126163-16-2 |
| Catalog Number | AG01EJOF |
| Chemical Name | [6-(trifluoromethyl)oxan-2-yl]methanamine hydrochloride |
| IUPAC Name | [6-(trifluoromethyl)oxan-2-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-3-1-2-5(4-11)12-6;/h5-6H,1-4,11H2;1H |
| InChI Key | AKWBXKNCOMNUHT-UHFFFAOYSA-N |
| MDL Number | MFCD31381472 |
| Molecular Formula | C7H13ClF3NO |
| Molecular Weight | 219.6324 |
| SMILES | Cl.NCC1OC(C(F)(F)F)CCC1 |
| Synonyms | 2126163-16-2,
AKOS034072192,
[6-(Trifluoromethyl)oxan-2-yl]methanamine hydrochloride,
[6-(trifluoromethyl)oxan-2-yl]methanamine hydrochloride, Mixture of diastereomers,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.632g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number