Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl |
|---|---|
| IUPAC Name | 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide |
| InChIKey | XCSGPAVHZFQHGE-UHFFFAOYSA-N |
| INCHI | 1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 |
| Isomeric SMILES | CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl |
| WGK Germany | 3 |
| RTECS | AE1225000 |
| UN Number | 2588 |
| Packing Group | I |
| Molecular Weight | 269.77 |
| Beilstein | 2944476 |
| Reaxy-Rn | 2944476 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2944476&ln= |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | Tertiary carboxylic acid amides Chloroacetamides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anilide - Tertiary carboxylic acid amide - Chloroacetamide - Carboxamide group - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Anilide herbicides |
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| Solubility | Hard to dissolve in water, soluble in ether, acetone, benzene, chloroform, and ethanol. |
|---|---|
| Sensitivity | Light sensitive. |
| Melt Point(°C) | 40-41°C |
| Molecular Weight | 269.770 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 269.118 Da |
| Monoisotopic Mass | 269.118 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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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