Basic information
- CAS
14528-48-4- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](Cl)c1ccnc2ccc(OC)cc12- InChIKey
KQRKDUSVAAFOOA-WZBLMQSHSA-N- Molecular formula
- C20H23ClN2O
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1498911
Names & identifiers
- Preferred name
- (8alpha,9R)-9-Chloro-6'-methoxycinchonan
- IUPAC
- 4-[(R)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
- English name
- (8alpha,9R)-9-chloro-6'-methoxycinchonan
- Molecular formula
- C20H23ClN2O
- Molecular weight
- 342.86
Names & synonyms
14528-48-4(8alpha,9R)-9-Chloro-6'-methoxycinchonanEINECS 238-546-9RefChem:69796238-546-99-Chloro-6'-methoxycinchonan4-[(R)-chloro-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline(8alpha,9R)-9-chloro-6/'-methoxycinchonanDTXSID40932553NS00054712(1xi,9R)-9-Chloro-6'-methoxy-8alpha-cinchonan9-Deoxy-9-chloroquinine
Show more names
(8α,9R)-9-Chloro-6'-methoxycinchonan(8S,9R)-9-Chloro-6'-methoxycinchonan(8S,9R)-6'-Methoxy-9-chlorocinchonan(8α,9R)-9-chloro-6'-methoxycinchonanCinchonan, 9-chloro-6'-methoxy-, (8α,9R)-
Database identifiers
- CAS
14528-48-4- PubChem CID
- 84495
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 148.5 · 148.5-150 °C
- Boiling point
- 482.8 · 482.8±40.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 8.84 · 8.84±0.70(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…