| CAS Number | 1803599-76-9 |
| Catalog Number | AG01ACJ0(AGN-PC-0WAM3A) |
| Chemical Name | 3-benzyl 1-tert-butyl azetidine-1,3-dicarboxylate |
| IUPAC Name | 3-O-benzyl 1-O-tert-butyl azetidine-1,3-dicarboxylate |
| InChI | InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-9-13(10-17)14(18)20-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3 |
| InChI Key | TYILNRYTUQNEQF-UHFFFAOYSA-N |
| MDL Number | MFCD26936044 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CC(OC(N1CC(C(OCC2=CC=CC=C2)=O)C1)=O)(C)C |
| Synonyms | 3-benzyl 1-tert-butyl azetidine-1,3-dicarboxylate,
Benzyl N-Boc-azetidine-3-carboxylate,
1803599-76-9,
SCHEMBL17874004,
ZINC95883474,
AKOS027460774,
SY027060,
CS-0079022,
MFCD26936044 (95%),
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number