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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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.
| Canonical Smiles | C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4 |
|---|---|
| IUPAC Name | 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol |
| InChIKey | DFQOXFIPAAMFAU-UHFFFAOYSA-O |
| INCHI | 1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1 |
| Isomeric SMILES | C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4 |
| Alternate CAS | 2121-12-2,61221-41-8 (acetate salt) |
| MeSH Entry Terms | AT 1840;lycobetaine;lycobetaine acetate;ungeremine;ungeremine chloride;ungeremine, acetate salt |
| Molecular Weight | 266.27 |
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 | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Benzoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthridines and derivatives |
| Alternative Parents | Hydroxyquinolines Isoquinolines and derivatives Indoles and derivatives Benzodioxoles 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenanthridine - Hydroxyquinoline - Isoquinoline - Benzodioxole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Acetal - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. |
| External Descriptors | Not available |
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| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 266.270 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 266.082 Da |
| Monoisotopic Mass | 266.082 Da |
| Topological Polar Surface Area | 42.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 1 |
| Complexity | 403.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
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