2-(2-Ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate (CHEM090548)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 02:56:23 UTC | ||||||||
| Update Date | 2026-04-05 02:56:23 UTC | ||||||||
| Accession Number | CHEM090548 | ||||||||
| Identification | |||||||||
| Common Name | 2-(2-Ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-(2-Ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified within the benzenoids superclass. This compound has the formula C20H22NO2 and an average molecular weight of 479.59 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H22NO2 | ||||||||
| Average Molecular Mass | 479.590 g/mol | ||||||||
| Monoisotopic Mass | 308.165 g/mol | ||||||||
| CAS Registry Number | 63123-20-6 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)S([O-])(=O)=O.CCOC(CC)=CC1=[N+](C)C2=CC(=CC=C2O1)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 | ||||||||
| InChI Key | DGWMOZHMDMZOJW-UHFFFAOYSA-M | ||||||||
| 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 | ||||||||
| Spectra | |||||||||
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
