| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:41:06 UTC |
|---|
| Update Date | 2025-03-21 17:58:57 UTC |
|---|
| HMDB ID | HMDB0246529 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00017771 |
|---|
| Name | 4-Nitroaniline |
|---|
| Frequency | 235.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6N2O2 |
|---|
| Molecular Mass | 138.0429 |
|---|
| SMILES | Nc1ccc([N+](=O)[O-])cc1 |
|---|
| InChI Key | TYMLOMAKGOJONV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | nitrobenzenes |
|---|
| Direct Parent | nitrobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | nitroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic oxoazaniumamineorganic hyponitritenitrobenzene |
|---|
