| CAS Number | 179482-90-7 |
| Catalog Number | AG01DTZH(AGN-PC-00KUJG) |
| Chemical Name | 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol |
| IUPAC Name | 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol |
| InChI | InChI=1S/C20H23NO/c22-20(17-9-5-2-6-10-17)13-18-11-12-19(14-20)21(18)15-16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2 |
| InChI Key | PTPIUVVGLSXHPY-UHFFFAOYSA-N |
| MDL Number | MFCD31579942 |
| Molecular Formula | C20H23NO |
| Molecular Weight | 293.4027 |
| SMILES | OC1(CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |
| Synonyms | 8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol,
SCHEMBL1513400,
PTPIUVVGLSXHPY-UHFFFAOYSA-N,
CS-0039696,
8-Benzyl-3-phenyl-8-aza-bicyclo[3.2.1]octan-3-ol,
3-Phenyl-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-ol,
8-Azabicyclo[3.2.1]octan-3-ol, 3-phenyl-8-(phenylmethyl)-,
179482-90-7,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.41g/mol |
| Monoisotopic Mass | 293.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number