| CAS Number | 1361111-58-1 |
| Catalog Number | AG01E7TN(AGN-PC-0WC86L) |
| Chemical Name | Azetidine-3-carboxamide; trifluoroacetic acid |
| IUPAC Name | azetidine-3-carboxamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C4H8N2O.C2HF3O2/c5-4(7)3-1-6-2-3;3-2(4,5)1(6)7/h3,6H,1-2H2,(H2,5,7);(H,6,7) |
| InChI Key | AADRKPHACWEKMP-UHFFFAOYSA-N |
| MDL Number | MFCD21605873 |
| Molecular Formula | C6H9F3N2O3 |
| Molecular Weight | 214.1425 |
| SMILES | NC(C1CNC1)=O.OC(C(F)(F)F)=O |
| Synonyms | azetidine-3-carboxamide; trifluoroacetic acid,
1361111-58-1,
AKOS030237337,
Z2754447740,
Azetidine-3-carboxylic acid amidetrifluoroacetic acid salt,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.144g/mol |
| Monoisotopic Mass | 214.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number