≥95% 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.
| Canonical Smiles | CN1CC2CCCC(C1)C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.Cl |
|---|---|
| IUPAC Name | (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride |
| InChIKey | AUKYHFFECJXLHI-UHFFFAOYSA-N |
| INCHI | 1S/C22H31NO3.ClH/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18;/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3;1H |
| Molecular Weight | 393.900 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidines |
| Alternative Parents | Benzene and substituted derivatives Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 393.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 393.207 Da |
| Monoisotopic Mass | 393.207 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
![3-Methyl-3-azabicyclo[3.3.1]nonan-9-YL 2-cyclopentyl-2-hydroxy-2-phenylacetate hydrochloride - ≥95% , CAS No.162220-36-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)