3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid (CHEM281331)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 21:10:52 UTC | ||||||||
| Update Date | 2026-08-27 21:10:52 UTC | ||||||||
| Accession Number | CHEM281331 | ||||||||
| Identification | |||||||||
| Common Name | 3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C12H19NO4S and an average molecular weight of 273.35 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H19NO4S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 273.103 g/mol | ||||||||
| CAS Registry Number | 96497-76-6 | ||||||||
| IUPAC Name | 3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)C | ||||||||
| InChI Identifier | InChI=1S/C12H19NO4S/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17) | ||||||||
| InChI Key | ZTQGWROHRVYSPW-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
