≥96% 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.
| Pubchem Sid | 488195882 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195882 |
| Canonical Smiles | CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O |
| IUPAC Name | 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;oxalic acid |
| InChIKey | BLSWAEGCRSFTJG-UHFFFAOYSA-N |
| INCHI | 1S/C19H22N2O3S.C2H2O4/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13-14H,11-12H2,1-3H3;(H,3,4)(H,5,6) |
| Isomeric SMILES | CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O |
| Molecular Weight | 448.5 |
| Reaxy-Rn | 8662019 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8662019&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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Tryptamines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tryptamines and derivatives |
| Alternative Parents | 3-alkylindoles Benzenesulfonamides Benzenesulfonyl compounds Anisoles Alkyl aryl ethers Aralkylamines Substituted pyrroles Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Tryptamine - Benzenesulfonamide - 3-alkylindole - Benzenesulfonyl group - Indole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. |
| 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 |
|---|---|---|---|
 D23111035 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111037 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111038 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111039 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111040 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111048 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111052 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| D23111063 | Certificate of Analysis | Jan 20, 2026 | M287981 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 22.42, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 448.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.13 Da |
| Monoisotopic Mass | 448.13 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 597.000 |
| 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 | 2 |
