Dataset
![molecular Image]()
1-PROPYLAMINE
Chemical Info
| InChI | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 |
|---|---|
| SMILES | CCCN |
| InChI Key | WGYKZJWCGVVSQN-UHFFFAOYSA-N |
| Molecular Formula | C3H9N |
| Exact Mass | 59.074 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000228 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T15:25:53.635548 |
| MetadataModified | 2025-02-09T13:01:03.788456 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| QOBHEW | CCDC |
| 30653 | Brenda |
| J4.052E | Nikkaji |
| DTXSID6021878 | EPA CompTox Dashboard |
| 80354 | Brenda |
| 5192 | Brenda |
| 215300 | Brenda |
| 215301 | Brenda |
| CHEMBL14409 | ChEMBL |
| 3CN | PDBe |
| 10016921 | NMRShiftDB |
| SCHEMBL9181 | SureChEMBL |
| 39870 | ChEBI |
| MCULE-2885523792 | Mcule |
| ZINC000016052656 | ZINC |
| CB8401908 | ChemicalBook |
| 198913 | Brenda |
| 1419 | Brenda |
| HMDB0034006 | Human Metabolome Database |
| 7852 | PubChem |
| I76F18D635 | FDA SRS |
| 68187-45-1 | ACToR |
| 68130-69-8 | ACToR |
| 68130-70-1 | ACToR |
| 107-10-8 | ACToR |
| 68187-44-0 | ACToR |
| 68187-43-9 | ACToR |
| 15296863 | PubChem: Thomson Pharma |
| 478528 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |