| CAS Number | 2126176-83-6 |
| Catalog Number | AG01EK2D |
| Chemical Name | N-cyclobutylazetidin-3-amine bis(trifluoroacetic acid) |
| IUPAC Name | N-cyclobutylazetidin-3-amine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C7H14N2.2C2HF3O2/c1-2-6(3-1)9-7-4-8-5-7;2*3-2(4,5)1(6)7/h6-9H,1-5H2;2*(H,6,7) |
| InChI Key | IZASXRAARJNTME-UHFFFAOYSA-N |
| MDL Number | MFCD30752560 |
| Molecular Formula | C11H16F6N2O4 |
| Molecular Weight | 354.2462 |
| SMILES | OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.C1CC(NC2CNC2)C1 |
| Synonyms | 2126176-83-6,
N-cyclobutylazetidin-3-amine, bis(trifluoroacetic acid),
N-Cyclobutylazetidin-3-amine; bis(trifluoroacetic acid),
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.249g/mol |
| Monoisotopic Mass | 354.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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