| CAS Number | 929975-10-0 |
| Catalog Number | AG019QAN(AGN-PC-0WCMUV) |
| Chemical Name | 1-Amino-4-ethoxy-2-(trifluoromethyl)but-3-en-2-ol |
| IUPAC Name | 2-(aminomethyl)-4-ethoxy-1,1,1-trifluorobut-3-en-2-ol |
| InChI | InChI=1S/C7H12F3NO2/c1-2-13-4-3-6(12,5-11)7(8,9)10/h3-4,12H,2,5,11H2,1H3 |
| InChI Key | UMACIHMNGIOELS-UHFFFAOYSA-N |
| MDL Number | MFCD09702254 |
| Molecular Formula | C7H12F3NO2 |
| Molecular Weight | 199.1709 |
| SMILES | CCOC=CC(C(F)(F)F)(CN)O |
| Synonyms | 2-(aminomethyl)-4-ethoxy-1,1,1-trifluorobut-3-en-2-ol,
929975-10-0,
CTK6G0008,
1-amino-4-ethoxy-2-(trifluoromethyl)but-3-en-2-ol,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.173g/mol |
| Monoisotopic Mass | 199.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number