| CAS Number | 2138212-72-1 |
| Catalog Number | AG01EK0X |
| Chemical Name | N-(oxetan-3-yl)azetidin-3-amine bis(trifluoroacetic acid) |
| IUPAC Name | N-(oxetan-3-yl)azetidin-3-amine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C6H12N2O.2C2HF3O2/c1-5(2-7-1)8-6-3-9-4-6;2*3-2(4,5)1(6)7/h5-8H,1-4H2;2*(H,6,7) |
| InChI Key | LXNNBRDMCRIOQY-UHFFFAOYSA-N |
| MDL Number | MFCD31435849 |
| Molecular Formula | C10H14F6N2O5 |
| Molecular Weight | 356.2190 |
| SMILES | O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.C1(NC2COC2)CNC1 |
| Synonyms | N-(oxetan-3-yl)azetidin-3-amine, bis(trifluoroacetic acid),
2138212-72-1,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.221g/mol |
| Monoisotopic Mass | 356.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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