≥90% 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.
| Canonical Smiles | C1C2CC3CC1CC(C2)C3(CC(=O)NCCO)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | 2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide |
| InChIKey | OGOUTJBZNBTLDZ-UHFFFAOYSA-N |
| INCHI | 1S/C20H26ClNO2/c21-18-3-1-15(2-4-18)20(12-19(24)22-5-6-23)16-8-13-7-14(10-16)11-17(20)9-13/h1-4,13-14,16-17,23H,5-12H2,(H,22,24) |
| Isomeric SMILES | C1C2CC3CC1CC(C2)C3(CC(=O)NCCO)C4=CC=C(C=C4)Cl |
| PubChem CID | 3524599 |
| Molecular Weight | 347.89 |
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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Alkanolamines - 1,2-aminoalcohols |
| Direct Parent | N-acylethanolamines |
| Alternative Parents | Chlorobenzenes Fatty amides Aryl chlorides Secondary carboxylic acid amides Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | N-acylethanolamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acylethanolamines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine. |
| External Descriptors | Not available |
| Molecular Weight | 347.900 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 347.165 Da |
| Monoisotopic Mass | 347.165 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 444.000 |
| 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 |
![2-[2-(4-chlorophenyl)-2-adamantyl]-N-(2-hydroxyethyl)acetamide - ≥90% , CAS No.400085-11-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)