| CAS Number | 1285278-84-3 |
| Catalog Number | AG00HRTJ(AGN-PC-0WG37M) |
| Chemical Name | tert-Butyl 3-(phenylamino)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-anilinoazetidine-1-carboxylate |
| InChI | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-12(10-16)15-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3 |
| InChI Key | YJTLPHYGSXHPTE-UHFFFAOYSA-N |
| MDL Number | MFCD19471441 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | O=C(N1CC(NC2=CC=CC=C2)C1)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(phenylamino)azetidine-1-carboxylate,
1285278-84-3,
SCHEMBL19454266,
MFCD19471441,
AKOS012606876,
AK335563,
DS-12406,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number