| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:34:28 UTC |
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| Update Date | 2016-11-09 01:09:16 UTC |
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| Accession Number | CHEM004090 |
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| Identification |
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| Common Name | C.I. Solvent Yellow 3 |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- IARC Carcinogens Group 2B
- My Exposome Chemicals
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| C.I. solvent yellow 3 | Kegg |
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| Chemical Formula | C14H15N3 |
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| Average Molecular Mass | 225.295 g/mol |
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| Monoisotopic Mass | 225.127 g/mol |
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| CAS Registry Number | 97-56-3 |
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| IUPAC Name | 2-methyl-4-[(E)-2-(2-methylphenyl)diazen-1-yl]aniline |
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| Traditional Name | butter yellow |
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| SMILES | CC1=CC(=CC=C1N)\N=N\C1=CC=CC=C1C |
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| InChI Identifier | InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+ |
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| InChI Key | PFRYFZZSECNQOL-WUKNDPDISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azobenzenes |
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| Sub Class | Not Available |
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| Direct Parent | Azobenzenes |
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| Alternative Parents | |
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| Substituents | - Azobenzene
- Aniline or substituted anilines
- Aminotoluene
- Toluene
- Monocyclic benzene moiety
- Benzenoid
- Azo compound
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organopnictogen compound
- Organic nitrogen compound
- Primary amine
- Organonitrogen compound
- Amine
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | C19188 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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