Dataset
![molecular Image]()
DEET
Chemical Info
| InChI | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC(C)=CC=C1 |
| InChI Key | MMOXZBCLCQITDF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU335304 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T10:02:16.522567 |
| MetadataModified | 2025-02-08T19:06:48.945595 |
| MetadataPublished | 2015-12-09 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DE3 | PDBe |
| CHEMBL1453317 | ChEMBL |
| C10935 | KEGG Ligand |
| ZINC000000001291 | ZINC |
| DIETHYLTOLUAMIDE | rxnorm |
| DIETHYLTOLUAMIDE | DailyMed |
| HY-B0978 | MedChemExpress |
| DIETHYLTOLUAMIDE | clinicaltrials |
| DTXSID2021995 | EPA CompTox Dashboard |
| HMDB0250930 | Human Metabolome Database |
| DASSUO | CCDC |
| J5.598K | Nikkaji |
| 4418 | DrugCentral |
| PD000446 | ProbesDrugs |
| FB0C1XZV4Y | FDA SRS |
| 80017858 | NMRShiftDB |
| 7071 | ChEBI |
| 15322272 | PubChem: Thomson Pharma |
| SCHEMBL29976 | SureChEMBL |
| 134-62-3 | ACToR |
| LSM-4114 | LINCS |
| 27518452 | eMolecules |
| 497732 | eMolecules |
| 4284 | PubChem |
| diethyltoluamide | DailyMed |
| DB11282 | DrugBank |
| The data in this table is sourced from UniChem at EBI. | |