| CAS Number | 1431364-00-9 |
| Catalog Number | AG00HWT5(AGN-PC-0WR1VO) |
| Chemical Name | Cis-tert-butyl 3-(4-methoxyphenyl)aziridine-2-carboxylate |
| IUPAC Name | tert-butyl (2R,3R)-3-(4-methoxyphenyl)aziridine-2-carboxylate |
| InChI | InChI=1S/C14H19NO3/c1-14(2,3)18-13(16)12-11(15-12)9-5-7-10(17-4)8-6-9/h5-8,11-12,15H,1-4H3/t11-,12-/m1/s1 |
| InChI Key | XNTGFDXDTMAHJN-VXGBXAGGSA-N |
| MDL Number | MFCD24368287 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | COc1ccc(cc1)[C@H]1N[C@H]1C(=O)OC(C)(C)C |
| Synonyms | cis-tert-butyl 3-(4-methoxyphenyl)aziridine-2-carboxylate,
1431364-00-9,
MFCD24368287,
ZINC95644402,
T6391,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number