2D structurePubChem CID 3283983
Identitate
3-Benzylmorpholine
Nu este indicat · C11H15NO
01Identitate
| Lazychem ID | LC-89206 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 3283983 |
| Molecular formula | C11H15NO |
| Molecular weight | 177.24 g/mol |
| IUPAC name | 3-benzylmorpholine |
| InChIKey | LSXCLMMIDIVSFG-UHFFFAOYSA-N |
02Structură și stereochimie
2D structurePubChem CID 3283983
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C1COCC(N1)CC2=CC=CC=C2 |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
3 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 3283983
Structure and machine-readable chemical identifiers.