(2-Carboxylatoethyl)-3-((perfluoro-11-methyldodecyl)-2-hydroxypropyl)aminopropyldimethylammonium (CHEM057470)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 19:53:24 UTC | ||||||||
| Update Date | 2026-05-20 20:19:38 UTC | ||||||||
| Accession Number | CHEM057470 | ||||||||
| Identification | |||||||||
| Common Name | (2-Carboxylatoethyl)-3-((perfluoro-11-methyldodecyl)-2-hydroxypropyl)aminopropyldimethylammonium | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H24F27N2O3 | ||||||||
| Average Molecular Mass | 900.416 g/mol | ||||||||
| Monoisotopic Mass | 901.136 g/mol | ||||||||
| CAS Registry Number | 93776-15-9 | ||||||||
| IUPAC Name | 2-carboxyethyl-dimethyl-[3-[[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl]amino]propyl]azanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[N+](C)(CCCNCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CCC([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C24H23F27N2O3/c1-53(2,7-4-11(55)56)6-3-5-52-9-10(54)8-12(25,26)14(28,29)16(32,33)18(36,37)20(40,41)22(44,45)21(42,43)19(38,39)17(34,35)15(30,31)13(27,23(46,47)48)24(49,50)51/h10,52,54H,3-9H2,1-2H3/p+1 | ||||||||
| InChI Key | CUFYORGVHPVESH-UHFFFAOYSA-O | ||||||||
| 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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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
