| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:00 UTC |
|---|
| Update Date | 2025-03-25 00:56:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02217513 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16BrN |
|---|
| Molecular Mass | 253.0466 |
|---|
| SMILES | C=C(CCN(C)C)c1ccc(Br)cc1 |
|---|
| InChI Key | JJBDUPSIGSBGRL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | bromobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl bromideshydrocarbon derivativesorganobromidesorganopnictogen compoundstrialkylamines |
|---|
| Substituents | tertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaryl bromideaminetertiary amine |
|---|
