| CAS Number | 1314771-82-8 |
| Catalog Number | AG00HSHE(AGN-PC-0WR3D8) |
| Chemical Name | Tert-butyl 3-(azetidin-3-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(azetidin-3-yl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-5-4-9(8-14)10-6-13-7-10/h9-10,13H,4-8H2,1-3H3 |
| InChI Key | VJSCBCZNNHYGQH-UHFFFAOYSA-N |
| MDL Number | MFCD01721131 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | CC(OC(N1CC(C2CNC2)CC1)=O)(C)C |
| Synonyms | tert-butyl 3-(azetidin-3-yl)pyrrolidine-1-carboxylate,
1314771-82-8,
AM805811,
F9994-8328,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number