≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | C1CN2CCC1C(C2)(C#N)O |
|---|---|
| IUPAC Name | 3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile |
| InChIKey | BEDKJKABPPDZNB-UHFFFAOYSA-N |
| INCHI | 1S/C8H12N2O/c9-5-8(11)6-10-3-1-7(8)2-4-10/h7,11H,1-4,6H2 |
| Isomeric SMILES | C1CN2CCC1C(C2)(C#N)O |
| Molecular Weight | 152.20 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinuclidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinuclidines |
| Alternative Parents | Piperidines Tertiary alcohols Trialkylamines Cyanohydrins Alpha-hydroxynitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Quinuclidine - Piperidine - Tertiary alcohol - Cyanohydrin - Alpha-hydroxynitrile - Tertiary amine - Tertiary aliphatic amine - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety. |
| External Descriptors | Not available |
| Molecular Weight | 152.190 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.095 Da |
| Monoisotopic Mass | 152.095 Da |
| Topological Polar Surface Area | 47.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
