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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110109 |
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Identification |
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| Name: |
N,N-dimethylaniline-N-oxide |
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| Description: | Dimethylaniline-N-oxide is a substrate for Dimethylaniline monooxygenase 4, Dimethylaniline monooxygenase 3, Dimethylaniline monooxygenase 1, Dimethylaniline monooxygenase 5, Putative dimethylaniline monooxygenase 6 and Dimethylaniline monooxygenase 2. |
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Structure |
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| Synonyms: | - Dimethyl(phenyl)amine oxide
- Dimethylaniline N-oxide
- N,N-Dimethylaniline N-oxide
- NN-Dimethylaniline-N-oxide
- Dimethylaniline N-oxide hydrochloride
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Chemical Formula: |
C8H11NO
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| Average Molecular Weight: |
137.18 |
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| Monoisotopic Molecular
Weight: |
137.0840639804 |
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| InChI Key: |
LKQUDAOAMBKKQW-UHFFFAOYSA-N |
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| InChI: |
InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3 |
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| CAS
number: |
874-52-2 |
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| IUPAC Name: | N,N-dimethylaniline N-oxide |
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Traditional IUPAC Name: |
dimethylaniline N-oxide |
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| SMILES: | CN(C)(=O)C1(C=CC=CC=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Benzenoids |
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| Sub Class | Benzene and substituted derivatives |
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Direct Parent |
Benzene and substituted derivatives |
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| Alternative Parents |
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| Substituents |
- Monocyclic benzene moiety
- Trisubstituted n-oxide
- N-oxide
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Ziegler, Daniel M.; Pettit, Flora H. Formation of an intermediate N-oxide in the oxidative demethylation of N,N-dimethylaniline catalyzed by liver microsomes. Biochemical and Biophysical Research Communications (1964), 15(2), 188-93. |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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