Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate (CHEM058925)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 23:01:05 UTC | ||||||||
| Update Date | 2026-05-20 17:20:34 UTC | ||||||||
| Accession Number | CHEM058925 | ||||||||
| Identification | |||||||||
| Common Name | Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C45H89N4O2 | ||||||||
| Average Molecular Mass | 843.350 g/mol | ||||||||
| Monoisotopic Mass | 717.699 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-cyanoethyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N | ||||||||
| InChI Identifier | InChI=1S/C45H88N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(6-3,41-35-38-46)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5) | ||||||||
| InChI Key | JNJKXFOAPIVBST-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 | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
