2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide (CHEM057599)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 20:02:28 UTC | ||||||||
| Update Date | 2026-05-20 20:33:42 UTC | ||||||||
| Accession Number | CHEM057599 | ||||||||
| Identification | |||||||||
| Common Name | 2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H42F8N2O4 | ||||||||
| Average Molecular Mass | 682.696 g/mol | ||||||||
| Monoisotopic Mass | 682.302 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-hydroxy-4-(2,2,3,3,4,4,5,5-octafluoropentanoylamino)phenyl]hexanamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC(OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(O)=C1 | ||||||||
| InChI Identifier | InChI=1S/C33H42F8N2O4/c1-8-11-12-25(47-24-16-13-19(29(4,5)9-2)17-21(24)30(6,7)10-3)26(45)42-20-14-15-22(23(44)18-20)43-28(46)32(38,39)33(40,41)31(36,37)27(34)35/h13-18,25,27,44H,8-12H2,1-7H3,(H,42,45)(H,43,46)/t25-/m0/s1 | ||||||||
| InChI Key | YQTBVQGDWOBHRU-VWLOTQADSA-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 | ||||||||
