Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:30:33 UTC |
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Update Date | 2016-11-09 01:09:15 UTC |
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Accession Number | CHEM003958 |
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Identification |
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Common Name | 2-Acetylaminofluorene |
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Class | Small Molecule |
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Description | The parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene. |
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Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA 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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2-(Acetylamino)fluorene | ChEBI | 2-AAF | ChEBI | 2-Acetaminofluorene | ChEBI | 2-Acetoaminofluorene | ChEBI | 2-Acetylaminofluorene | ChEBI | 2-ACETYLAMINOFLUORENE-3-yl | ChEBI | 2-FAA | ChEBI | N-2-Fluorenylacetamide | ChEBI | N-Acetyl-2-aminofluorene | ChEBI | N-Fluoren-2-ylacetamide | ChEBI | 2 Fluorenylacetamide | MeSH | N Acetyl 2 aminofluorene | MeSH | 2-Fluorenylacetamide | MeSH | AAF, aminofluorene | MeSH | Aminofluorene aaf | MeSH | 2 Acetylaminofluorene | MeSH | Fluoren 2 ylacetamide | MeSH | N 2 Fluorenylacetamide | MeSH | 2 Acetamidofluorene | MeSH | Acetylaminofluorene | MeSH | Fluoren-2-ylacetamide | MeSH |
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Chemical Formula | C15H13NO |
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Average Molecular Mass | 223.270 g/mol |
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Monoisotopic Mass | 223.100 g/mol |
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CAS Registry Number | 53-96-3 |
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IUPAC Name | N-(9H-fluoren-2-yl)ethanimidic acid |
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Traditional Name | acetylaminofluorene |
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SMILES | CC(O)=NC1=CC=C2C(CC3=CC=CC=C23)=C1 |
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InChI Identifier | InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17) |
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InChI Key | CZIHNRWJTSTCEX-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Fluorenes |
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Sub Class | Not Available |
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Direct Parent | Fluorenes |
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Alternative Parents | |
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Substituents | - Fluorene
- N-acetylarylamine
- N-arylamide
- Acetamide
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid derivative
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxygen compound
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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 | 2-Acetylaminofluorene |
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Chemspider ID | Not Available |
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ChEBI ID | 17356 |
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PubChem Compound ID | 5897 |
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Kegg Compound ID | C02778 |
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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 | |
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