≥98% 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.
| Pubchem Sid | 504772025 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772025 |
| Canonical Smiles | CCN(CC(CS(=O)(=O)[O-])O)C1=CC(=CC=C1)OC.O.O.[Na+] |
| IUPAC Name | sodium;3-(N-ethyl-3-methoxyanilino)-2-hydroxypropane-1-sulfonate;dihydrate |
| InChIKey | PNGLEYLFMHGIQO-UHFFFAOYSA-M |
| INCHI | 1S/C12H19NO5S.Na.2H2O/c1-3-13(8-11(14)9-19(15,16)17)10-5-4-6-12(7-10)18-2;;;/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16,17);;2*1H2/q;+1;;/p-1 |
| Isomeric SMILES | CCN(CC(CS(=O)(=O)[O-])O)C1=CC(=CC=C1)OC.O.O.[Na+] |
| Molecular Weight | 347.4 |
| Reaxy-Rn | 33639647 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33639647&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 | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Methoxyanilines Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Methoxyaniline - Aminophenyl ether - Anisole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Organic alkali metal salt - Ether - Amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic zwitterion - Organic salt - Organic sodium salt - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| 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 |
|---|---|---|---|
 I1423133 | Certificate of Analysis | Apr 15, 2026 | E113054 |
| K2124490 | Certificate of Analysis | Sep 04, 2025 | E113054 |
| K2125451 | Certificate of Analysis | Sep 04, 2025 | E113054 |
| C1625119 | Certificate of Analysis | Oct 09, 2023 | E113054 |
| Melt Point(°C) | 144 °C |
|---|---|
| Molecular Weight | 347.360 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 347.101 Da |
| Monoisotopic Mass | 347.101 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 4 |
