(2-Carboxyethyl)-3-(((perfluoro-7-methyloctyl)2-hydroxypropyl)amino)propyldimethylammonium hydroxide (CHEM112313)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 23:38:17 UTC | ||||||||
| Update Date | 2026-05-21 00:26:46 UTC | ||||||||
| Accession Number | CHEM112313 | ||||||||
| Identification | |||||||||
| Common Name | (2-Carboxyethyl)-3-(((perfluoro-7-methyloctyl)2-hydroxypropyl)amino)propyldimethylammonium hydroxide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H25F19N2O4 | ||||||||
| Average Molecular Mass | 718.400 g/mol | ||||||||
| Monoisotopic Mass | 718.151 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N-(2-Carboxyethyl)-3-{[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]amino}-N,N-dimethylpropan-1-aminium hydroxide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [OH-].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)(C(F)(F)F)C(F)(F)F)CCC(O)=O | ||||||||
| InChI Identifier | InChI=1/C20H23F19N2O3.H2O/c1-41(2,7-4-11(43)44)6-3-5-40-9-10(42)8-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39;/h10,40,42H,3-9H2,1-2H3;1H2 | ||||||||
| InChI Key | PYARMOUCKHFGKQ-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 | ||||||||
