Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™,≥98.0% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 |
|---|---|
| IUPAC Name | 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one |
| InChIKey | BZEWSEKUUPWQDQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3 |
| Isómeros SMILES | CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2 |
| CAS alternativo | 536-43-6 |
| Peso molecular | 289.41 |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Piperidines Beta-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | piperidines - aromatic ketone |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 18, 2026 | D610028 | |
| Certificate of Analysis | Jun 18, 2026 | D610028 | |
| Certificate of Analysis | Jun 18, 2026 | D610028 | |
| Certificate of Analysis | Apr 01, 2026 | D610028 | |
| Certificate of Analysis | Apr 01, 2026 | D610028 | |
| Certificate of Analysis | Apr 01, 2026 | D610028 |
| Peso molecular | 289.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 289.204 Da |
| Monoisotopic Mass | 289.204 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
| 1. Zhi Tang, Zilu Wang, Mali Wang, Fan Yin, Min Liao, Haiqun Cao, Ning Zhao. (2023) Molecular mechanism of resistance to mesosulfuron-methyl in shortawn foxtail (Alopecurus aequalis) from China. WEED SCIENCE, 71 (3): (224-232). [PMID:] [10.1017/wsc.2023.23] |
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