| CAS Number | 158252-09-6 |
| Catalog Number | AG01B252 |
| Chemical Name | rac-(4aR,7aS)-4-benzyl-octahydropyrrolo[3,4-b]morpholine |
| IUPAC Name | (4aR,7aS)-4-benzyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine |
| InChI | InChI=1S/C13H18N2O/c1-2-4-11(5-3-1)10-15-6-7-16-13-9-14-8-12(13)15/h1-5,12-14H,6-10H2/t12-,13+/m1/s1 |
| InChI Key | GXVSLYAKJGKRCK-OLZOCXBDSA-N |
| MDL Number | MFCD28145498 |
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.2948 |
| SMILES | C(C1=CC=CC=C1)N1[C@@H]2[C@@H](CNC2)OCC1 |
| Synonyms | (4aR,7aS)-4-benzyloctahydropyrrolo[3,4-b][1,4]oxazine,
CS-WAA0328,
SCHEMBL8325699,
ZINC81947514,
FCH2882285,
EN300-197276,
cis-4-Benzyloctahydropyrrolo[3,4-b][1,4]oxazine,
151213-50-2,
158252-09-6,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.3g/mol |
| Monoisotopic Mass | 218.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number