| CAS Number | 498581-24-1 |
| Catalog Number | AG019SJM(AGN-PC-0AA0SU) |
| Chemical Name | 3-(Trifluoromethyl)pentan-3-amine hydrochloride |
| IUPAC Name | 3-(trifluoromethyl)pentan-3-amine;hydrochloride |
| InChI | InChI=1S/C6H12F3N.ClH/c1-3-5(10,4-2)6(7,8)9;/h3-4,10H2,1-2H3;1H |
| InChI Key | TZZRJHPOIFSVBD-UHFFFAOYSA-N |
| MDL Number | MFCD20502121 |
| Molecular Formula | C6H13ClF3N |
| Molecular Weight | 191.6223 |
| SMILES | CCC(CC)(C(F)(F)F)N.Cl |
| Synonyms | 3-(trifluoromethyl)pentan-3-amine hydrochloride,
498581-24-1,
SCHEMBL16236805,
AKOS026743095,
MCULE-5954851728,
NE46907,
EN300-93912,
Z1270207973,
|
| Complexity | 104 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number