N,N-Dimethyl-3-[(1-oxooctadecyl)amino]-N-[2-oxo-2-(tetradecyloxy)ethyl]-1-propanaminium (CHEM058928)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 23:01:22 UTC | ||||||||
| Update Date | 2026-08-31 23:22:33 UTC | ||||||||
| Accession Number | CHEM058928 | ||||||||
| Identification | |||||||||
| Common Name | N,N-Dimethyl-3-[(1-oxooctadecyl)amino]-N-[2-oxo-2-(tetradecyloxy)ethyl]-1-propanaminium | ||||||||
| Class | Small Molecule | ||||||||
| Description | N,N-Dimethyl-3-[(1-oxooctadecyl)amino]-N-[2-oxo-2-(tetradecyloxy)ethyl]-1-propanaminium belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C39H79N2O3. With an average molecular weight of 624.10 g/mol, N,N-Dimethyl-3-[(1-oxooctadecyl)amino]-N-[2-oxo-2-(tetradecyloxy)ethyl]-1-propanaminium is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C39H79N2O3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 623.609 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Dimethyl-[3-(octadecanoylamino)propyl]-(2-oxo-2-tetradecoxyethyl)azanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C39H78N2O3.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2;/h5-37H2,1-4H3;1H | ||||||||
| InChI Key | CARJGAHURMGKDU-UHFFFAOYSA-O | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Carboxylic acids and derivatives | ||||||||
| Sub Class | Amino acids, peptides, and analogues | ||||||||
| Direct Parent | Alpha amino acid esters | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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 | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 111772 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
