| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:33:57 UTC |
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| Update Date | 2016-11-09 01:09:16 UTC |
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| Accession Number | CHEM004073 |
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| Identification |
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| Common Name | Michler's ketone |
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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
- STOFF IDENT Compounds
- 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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| Michler's ketone | Kegg | | 4,4'-Bis(dimethylamino)benzophenone | MeSH |
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| Chemical Formula | C17H20N2O |
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| Average Molecular Mass | 268.360 g/mol |
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| Monoisotopic Mass | 268.158 g/mol |
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| CAS Registry Number | 90-94-8 |
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| IUPAC Name | 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline |
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| Traditional Name | michler's ketone |
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| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C |
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| InChI Identifier | InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3 |
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| InChI Key | VVBLNCFGVYUYGU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzophenones |
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| Direct Parent | Benzophenones |
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| Alternative Parents | |
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| Substituents | - Benzophenone
- Diphenylmethane
- Aryl-phenylketone
- Benzoyl
- Tertiary aliphatic/aromatic amine
- Aryl ketone
- Aniline or substituted anilines
- Dialkylarylamine
- Ketone
- Tertiary amine
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Amine
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- 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 | 7031 |
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| Kegg Compound ID | C19266 |
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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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