| CAS Number | 1714979-63-1 |
| Catalog Number | AG01DYF2(AGN-PC-0WNGNR) |
| Chemical Name | tert-Butyl 3-benzylazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-benzylazetidine-1-carboxylate |
| InChI | InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-10-13(11-16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3 |
| InChI Key | UWQBJQUICYNBMP-UHFFFAOYSA-N |
| MDL Number | MFCD30723490 |
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.3327 |
| SMILES | CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C1 |
| Synonyms | tert-Butyl 3-benzylazetidine-1-carboxylate,
1714979-63-1,
SCHEMBL17736150,
MFCD30723490,
ZINC602993681,
KS-00000U95,
AK683955,
CS-0062978,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.338g/mol |
| Monoisotopic Mass | 247.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number