Dataset
![molecular Image]()
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3 |
|---|---|
| SMILES | CCCCCN |
| InChI Key | DPBLXKKOBLCELK-UHFFFAOYSA-N |
| Molecular Formula | C5H13N |
| Exact Mass | 87.163 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/DPBLXKKOBLCELK-UHFFFAOYSA-N/IR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/DPBLXKKOBLCELK-UHFFFAOYSA-N/IR |
| Version | |
| Author | Yu-Chieh Huang |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T01:30:42.068987 |
| MetadataModified | 2024-09-07T15:43:04.174024 |
| MetadataPublished | 2019-06-27 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | infrared absorption spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DTXSID0021919 | EPA CompTox Dashboard |
| ZINC000001586308 | ZINC |
| J1.978J | Nikkaji |
| HMDB0248371 | Human Metabolome Database |
| QOBHOG | CCDC |
| PENTYLAMINE | rxnorm |
| AML | PDBe |
| DB02045 | DrugBank |
| 14842802 | PubChem: Thomson Pharma |
| 8060 | PubChem |
| 110-58-7 | ACToR |
| E05QM3V8EF | FDA SRS |
| 127783 | Brenda |
| PD008194 | ProbesDrugs |
| 74848 | ChEBI |
| 485119 | eMolecules |
| SCHEMBL7886 | SureChEMBL |
| 30096243 | NMRShiftDB |
| MCULE-6547961798 | Mcule |
| 6623 | Brenda |
| 4143 | Brenda |
| 31563 | Brenda |
| 104250 | Brenda |
| 96985 | Brenda |
| 32590 | Brenda |
| 10880 | Brenda |
| 15871 | Brenda |
| CB1420771 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |