| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:32:39 UTC |
|---|
| Update Date | 2025-03-21 21:51:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00420545 |
|---|
| Frequency | 4.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9ClN2 |
|---|
| Molecular Mass | 144.0454 |
|---|
| SMILES | NCCc1cc(Cl)c[nH]1 |
|---|
| InChI Key | NOYHWWDTAVJGJQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organohalogen compounds |
|---|
| Class | aryl halides |
|---|
| Subclass | aryl chlorides |
|---|
| Direct Parent | aryl chlorides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | aryl chloridearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
|---|
