| CAS Number | 1787896-72-3 |
| Catalog Number | AG01BEMB(AGN-PC-0WOUW7) |
| Chemical Name | 1,1,1-trifluoro-3-methylpentan-2-amine hydrochloride |
| IUPAC Name | 1,1,1-trifluoro-3-methylpentan-2-amine;hydrochloride |
| InChI | InChI=1S/C6H12F3N.ClH/c1-3-4(2)5(10)6(7,8)9;/h4-5H,3,10H2,1-2H3;1H |
| InChI Key | HDPRMLYHQFQXIS-UHFFFAOYSA-N |
| MDL Number | MFCD28064099 |
| Molecular Formula | C6H13ClF3N |
| Molecular Weight | 191.6223 |
| SMILES | Cl.CCC(C(C(F)(F)F)N)C |
| Synonyms | 1,1,1-trifluoro-3-methylpentan-2-amine hydrochloride,
1787896-72-3,
AKOS026744100,
MCULE-6852728815,
Z1874937363,
|
| Complexity | 99.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.622g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number