| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:31:06 UTC |
|---|
| Update Date | 2025-03-21 18:41:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00136548 |
|---|
| Frequency | 18.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H19ClN4 |
|---|
| Molecular Mass | 254.1298 |
|---|
| SMILES | N=C(NCCCCCN)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | KYOCHIHKVBLXDF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | chlorobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridescarboximidamidesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganochloridesorganopnictogen compounds |
|---|
| Substituents | aryl chloridechlorobenzeneguanidineimineorganochloridecarboximidamideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
|---|
