≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488199144 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199144 |
| Sonrisas canónicas | CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)Cl |
| IUPAC Name | [(S)-[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate |
| InChIKey | TXVNNFDXQZFMBQ-XHYUFEOFSA-N |
| INCHI | 1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19+,25-,26+/m1/s1 |
| Isómeros SMILES | CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)Cl |
| WGK Alemania | 3 |
| Peso molecular | 465 |
| Reaxy-Rn | 48641439 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48641439&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Clase | Cinchona alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinchona alkaloids |
| Alternative Parents | 4-halobenzoic acids and derivatives Quinolines and derivatives Benzoic acid esters Quinuclidines Anisoles Benzoyl derivatives Alkyl aryl ethers Aralkylamines Chlorobenzenes Pyridines and derivatives Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cinchonan-skeleton - Benzoate ester - Quinoline - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Benzoyl - Quinuclidine - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 D23141977 | Certificate of Analysis | Jan 21, 2026 | H472205 |
| D23142006 | Certificate of Analysis | Jan 21, 2026 | H472205 |
| D23142073 | Certificate of Analysis | Jan 21, 2026 | H472205 |
| D23142132 | Certificate of Analysis | Jan 21, 2026 | H472205 |
| Rotación específica [α] | [α]26/D −73°, c = 1 in ethanol |
|---|---|
| Punto de fusión (°C) | 102-105 °C |
| Peso molecular | 465.000 g/mol |
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 464.187 Da |
| Monoisotopic Mass | 464.187 Da |
| Topological Polar Surface Area | 51.700 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 670.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
