| CAS Number | 1354792-80-5 |
| Catalog Number | AG01AFVE(AGN-PC-0WO2UG) |
| Chemical Name | 3-Ethylazetidin-3-ol trifluoroacetate |
| IUPAC Name | 3-ethylazetidin-3-ol;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H11NO.C2HF3O2/c1-2-5(7)3-6-4-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7) |
| InChI Key | WAXLZKRTSIMOPS-UHFFFAOYSA-N |
| MDL Number | MFCD27920237 |
| Molecular Formula | C7H12F3NO3 |
| Molecular Weight | 215.1703 |
| SMILES | CCC1(CNC1)O.OC(C(F)(F)F)=O |
| Synonyms | 3-ethylazetidin-3-ol; trifluoroacetic acid,
1354792-80-5,
SCHEMBL321952,
WAXLZKRTSIMOPS-UHFFFAOYSA-N,
3-Ethylazetidin-3-ol trifluoroacetate,
AKOS026727019,
NE17248,
3-ethylazetidin-3-ol, trifluoroacetic acid,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.172g/mol |
| Monoisotopic Mass | 215.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number