2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]- (CHEM063880)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 11:00:42 UTC | ||||||||
| Update Date | 2026-08-18 22:57:54 UTC | ||||||||
| Accession Number | CHEM063880 | ||||||||
| Identification | |||||||||
| Common Name | 2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]- | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2,5-Cyclohexadien-1-one, 4-[(4-amino-3-methylphenyl)imino]- belongs to the quinonimines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C13H12N2O1 and an average molecular weight of 212.25 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H12N2O1 | ||||||||
| Average Molecular Mass | 212.252 g/mol | ||||||||
| Monoisotopic Mass | 212.095 g/mol | ||||||||
| CAS Registry Number | 101-15-5 | ||||||||
| IUPAC Name | 4-(4-amino-3-methylphenyl)iminocyclohexa-2,5-dien-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=CC=C1N)N=C1C=CC(=O)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C13H12N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8H,14H2,1H3 | ||||||||
| InChI Key | RWIMGHAFJNQGDH-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as p-quinonimines. These are quinonimines in which the imine groups are in a para-relationship. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic nitrogen compounds | ||||||||
| Class | Organonitrogen compounds | ||||||||
| Sub Class | Quinonimines | ||||||||
| Direct Parent | P-quinonimines | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 66860 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
