| CAS Number | 1307254-47-2 |
| Catalog Number | AG00HS91(AGN-PC-0WG4Q0) |
| Chemical Name | Tert-Butyl 3-Hydroxy-3-Phenyl-8-Azabicyclo[3.2.1]Octane-8-Carboxylate |
| IUPAC Name | tert-butyl 3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxylate |
| InChI | InChI=1S/C18H25NO3/c1-17(2,3)22-16(20)19-14-9-10-15(19)12-18(21,11-14)13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3 |
| InChI Key | JLINYSUXYOSNFM-UHFFFAOYSA-N |
| MDL Number | MFCD28992171 |
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.3960 |
| SMILES | CC(OC(N1C2CC(C3=CC=CC=C3)(CC1CC2)O)=O)(C)C |
| Synonyms | Tert-Butyl 3-Hydroxy-3-Phenyl-8-Azabicyclo[3.2.1]Octane-8-Carboxylate,
1307254-47-2,
MFCD28992171,
CS-0039057,
t-Butyl 3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxylate,
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| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.402g/mol |
| Monoisotopic Mass | 303.183g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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