| CAS Number | 1197728-57-6 |
| Catalog Number | AG019WUD(AGN-PC-0WORN5) |
| Chemical Name | (prop-2-en-1-yl)(2,2,2-trifluoroethyl)amine hydrochloride |
| IUPAC Name | N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C5H8F3N.ClH/c1-2-3-9-4-5(6,7)8;/h2,9H,1,3-4H2;1H |
| InChI Key | ZOFAKDPCHHFUJM-UHFFFAOYSA-N |
| MDL Number | MFCD12913217 |
| Molecular Formula | C5H9ClF3N |
| Molecular Weight | 175.5799 |
| SMILES | Cl.FC(CNCC=C)(F)F |
| Synonyms | (prop-2-en-1-yl)(2,2,2-trifluoroethyl)amine hydrochloride,
1197728-57-6,
prop-2-en-1-yl(2,2,2-trifluoroethyl)amine hydrochloride,
AC1Q3C8V,
CTK5J4930,
AKOS016893115,
MCULE-2443204930,
NE32573,
EN300-53181,
Z803145386,
|
| Complexity | 86.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.579g/mol |
| Monoisotopic Mass | 175.038g/mol |
| Rotatable Bond Count | 3 |
| 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