≥99%(HPLC) 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 | CN(C)CCCCNC(=O)C=CC1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl |
|---|---|
| IUPAC Name | (E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-[4-(dimethylamino)butyl]prop-2-enamide;hydrochloride |
| InChIKey | PDVBHWZPRQFKJS-KYIGKLDSSA-N |
| INCHI | 1S/C21H25ClN2OS.ClH/c1-24(2)16-6-5-15-23-21(25)14-9-17-7-3-4-8-20(17)26-19-12-10-18(22)11-13-19;/h3-4,7-14H,5-6,15-16H2,1-2H3,(H,23,25);1H/b14-9+; |
| Isomeric SMILES | CN(C)CCCCNC(=O)/C=C/C1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl |
| PubChem CID | 56924282 |
| Molecular Weight | 425.41 |
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 | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Cinnamic acid amides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acid amides |
| Alternative Parents | Diarylthioethers Thiophenol ethers Styrenes Chlorobenzenes Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid amide - Diarylthioether - Aryl thioether - Thiophenol ether - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2312391 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312392 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312396 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312400 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312403 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312405 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312409 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| L2312410 | Certificate of Analysis | Nov 18, 2023 | A286579 |
| Solubility | Solvent:water, Max Conc. mg/mL: 42.54, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 425.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 424.114 Da |
| Monoisotopic Mass | 424.114 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
