| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:32:08 UTC |
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| Update Date | 2016-11-09 01:15:24 UTC |
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| Accession Number | CHEM016446 |
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| Identification |
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| Common Name | 2,7-Acetylaminofluorene |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - 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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| N-{7-[(1-hydroxyethylidene)amino]-9H-fluoren-2-yl}ethanimidate | Generator | | 2,7-Fluorenylbisacetamide | MeSH | | N,N'-fluorene-2,7-ylenebisacetamide | MeSH | | 2,7-Fluorenyldiacetamide | MeSH | | N,N'-2,7-fluorenylenebisacetamide | MeSH | | 2,7-Diacetylaminofluorene | MeSH | | 2,7 Diacetylaminofluorene | MeSH |
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| Chemical Formula | C17H16N2O2 |
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| Average Molecular Mass | 280.327 g/mol |
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| Monoisotopic Mass | 280.121 g/mol |
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| CAS Registry Number | 304-28-9 |
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| IUPAC Name | N-{7-[(1-hydroxyethylidene)amino]-9H-fluoren-2-yl}ethanimidic acid |
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| Traditional Name | N-{7-[(1-hydroxyethylidene)amino]-9H-fluoren-2-yl}ethanimidic acid |
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| SMILES | CC(O)=NC1=CC=C2C(CC3=CC(=CC=C23)N=C(C)O)=C1 |
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| InChI Identifier | InChI=1S/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21) |
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| InChI Key | XBZBRCVCSVLJJZ-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 | Not Available |
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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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001r-0090000000-9d3abe27f297fb0ac399 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0190000000-67975407d7fc26fc7d4f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00sr-1490000000-439b61b4d297ab449910 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-8758f942f26bfe1043a1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-002u-2190000000-fa87979db88a5a616aec | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9220000000-c43b24da9283276cacb5 | Spectrum |
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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 | 9352 |
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| Kegg Compound ID | Not Available |
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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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