Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester (CHEM073936)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 11:26:33 UTC | ||||||||
| Update Date | 2026-08-22 07:20:46 UTC | ||||||||
| Accession Number | CHEM073936 | ||||||||
| Identification | |||||||||
| Common Name | Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids and has the chemical formula C27H26N2O6S2. With an average molecular weight of 538.63 g/mol, Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H26N2O6S2 | ||||||||
| Average Molecular Mass | 538.630 g/mol | ||||||||
| Monoisotopic Mass | 538.123 g/mol | ||||||||
| CAS Registry Number | 68015-60-1 | ||||||||
| IUPAC Name | [4-[2-[4-(2-aminophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 2-aminobenzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C1=CC=C(OS(=O)(=O)C2=C(N)C=CC=C2)C=C1)C1=CC=C(OS(=O)(=O)C2=C(N)C=CC=C2)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C27H26N2O6S2/c1-27(2,19-11-15-21(16-12-19)34-36(30,31)25-9-5-3-7-23(25)28)20-13-17-22(18-14-20)35-37(32,33)26-10-6-4-8-24(26)29/h3-18H,28-29H2,1-2H3 | ||||||||
| InChI Key | XSHPYHIIELUPAR-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 | ||||||||
| Spectra | |||||||||
| 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 | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
