≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488196949 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196949 |
| Canonical Smiles | C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Cl-] |
| IUPAC Name | (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride |
| InChIKey | FCHYSBWCOKEPNQ-IOPLZPHGSA-M |
| INCHI | 1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28?;/m0./s1 |
| Isomeric SMILES | C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Cl-] |
| WGK Germany | 3 |
| Molecular Weight | 420.98 |
| Beilstein | 5421832 |
| Reaxy-Rn | 61779607 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61779607&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 |
| Class | Cinchona alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinchona alkaloids |
| Alternative Parents | N-benzylpiperidines 4-quinolinemethanols Quinuclidines Benzylamines Phenylmethylamines Aralkylamines Pyridines and derivatives Heteroaromatic compounds Tetraalkylammonium salts 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Aromatic alcohols Organic chloride salts |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cinchonan-skeleton - Benzylpiperidine - N-benzylpiperidine - 4-quinolinemethanol - Quinoline - Quinuclidine - Benzylamine - Phenylmethylamine - Aralkylamine - Pyridine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Aromatic alcohol - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxygen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 D1803127 | Certificate of Analysis | Nov 10, 2025 | B120844 |
| K2117993 | Certificate of Analysis | Sep 04, 2025 | B120844 |
| J2320105 | Certificate of Analysis | Oct 25, 2023 | B120844 |
| J2320106 | Certificate of Analysis | Oct 25, 2023 | B120844 |
| J2320107 | Certificate of Analysis | Oct 25, 2023 | B120844 |
| J2320108 | Certificate of Analysis | Oct 25, 2023 | B120844 |
| Solubility | Soluble in Methanol |
|---|---|
| Specific Rotation[α] | -184° (C=1,H2O) |
| Melt Point(°C) | 210°C |
| Molecular Weight | 421.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.197 Da |
| Monoisotopic Mass | 420.197 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 573.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
