≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Dopamine 4-sulfate is a major circulating plasma metabolite and urinary metabolite of dopamine formed by cytosolic sulfotransferase 1A3 (SULT1A3) from both exogenous and endogenous dopamine. Dopamine 4-sulfate has been shown to bind to the GABA receptor, but not to D1 or D2 dopamine receptors. Dopamine 4-sulfate is 10 times more abundant than isomeric dopamine 3-sulfate and is considered a potential biomarker for banana and other fruits consumption.
| Canonical Smiles | C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O |
|---|---|
| IUPAC Name | [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate |
| InChIKey | DEKNNWJXAQTLFA-UHFFFAOYSA-N |
| INCHI | 1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13) |
| Isomeric SMILES | C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 233.24 |
| Reaxy-Rn | 4456909 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4456909&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 | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Arylsulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylsulfates |
| Alternative Parents | Phenethylamines Phenoxy compounds 2-arylethylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylsulfate - Phenethylamine - Phenoxy compound - 2-arylethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Primary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary aliphatic amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group. |
| External Descriptors | aryl sulfate |
| Sensitivity | Hygroscopic |
|---|---|
| Melt Point(°C) | 256-258° C |
| Molecular Weight | 233.240 g/mol |
| XLogP3 | -2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 233.036 Da |
| Monoisotopic Mass | 233.036 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |
