Dataset
![molecular Image]()
Aniline
Chemical Info
| InChI | InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 |
|---|---|
| SMILES | Nc1ccccc1 |
| InChI Key | PAYRUJLWNCNPSJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7N |
| Exact Mass | 93.058 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UvA_IBED-UI000201 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T19:56:35.575769 |
| MetadataModified | 2025-02-09T19:56:35.749201 |
| MetadataPublished | 2024-08-27 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 10005663 | NMRShiftDB |
| MCULE-9347486445 | Mcule |
| SCHEMBL11803 | SureChEMBL |
| ZINC000017886255 | ZINC |
| 20460 | Brenda |
| 676 | Brenda |
| HMDB0003012 | Human Metabolome Database |
| 17296 | Rhea |
| CB7169544 | ChemicalBook |
| 477532 | eMolecules |
| 6115 | PubChem |
| PD006367 | ProbesDrugs |
| CB7372142 | ChemicalBook |
| 14818087 | PubChem: Thomson Pharma |
| 62-53-3 | ACToR |
| 146997-94-6 | ACToR |
| SIR7XX2F1K | FDA SRS |
| DB06728 | DrugBank |
| C00292 | KEGG Ligand |
| CHEMBL538 | ChEMBL |
| 17296 | ChEBI |
| ANL | PDBe |
| ANILINE | rxnorm |
| J2.349C | Nikkaji |
| BAZGOY | CCDC |
| 92572 | BindingDB |
| DTXSID8020090 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |