2D structurePubChem CID 30966
Tożsamość
Trimethyldiphenylpropylamine
Nie podano · C18H23N
01Tożsamość
| Lazychem ID | LC-53645 |
|---|---|
| CAS RN | Nie podano |
| PubChem CID | 30966 |
| Molecular formula | C18H23N |
| Molecular weight | 253.4 g/mol |
| IUPAC name | N,N-dimethyl-4,4-diphenylbutan-2-amine |
| InChIKey | NSHMKXVHJBBKTN-UHFFFAOYSA-N |
02Struktura i stereochemia
2D structurePubChem CID 30966
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 | 0 |
| Tertiary amines | 1 |
| SMILES | CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C |
|---|---|
| InChI | Nie podano |
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
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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.
04Status w Indiach
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazwy i powiązania
API i lek macierzysty
Nie podano
Nazwy i powiązania
06Źródła
- S01PubChem CID 30966
Structure and machine-readable chemical identifiers.