| CAS Number | 3834-43-3 |
| Catalog Number | AG01DWE7(AGN-PC-046LBU) |
| Chemical Name | Ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride |
| IUPAC Name | ethyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride |
| InChI | InChI=1S/C6H10F3NO2.ClH/c1-2-12-5(11)4(10)3-6(7,8)9;/h4H,2-3,10H2,1H3;1H |
| InChI Key | NSWWEXCIWCDUEY-UHFFFAOYSA-N |
| MDL Number | MFCD20486198 |
| Molecular Formula | C6H11ClF3NO2 |
| Molecular Weight | 221.6052 |
| SMILES | O=C(OCC)C(N)CC(F)(F)F.[H]Cl |
| Synonyms | Ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride,
3834-43-3,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.604g/mol |
| Monoisotopic Mass | 221.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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