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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 | PAMDB120198 |
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Identification |
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| Name: |
acetone cyanohydrin |
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| Description: | Acetone cyanohydrin (ACH) is an organic compound used in the production of methyl methacrylate, the monomer of the transparent plastic polymethyl methacrylate (PMMA), also known as acrylic. (Wikipedia) |
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Structure |
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| Synonyms: | - 2-Hydroxy-2-methylpropanenitrile
- 2-hydroxy-2-methylpropanenitrile
- 2-Hydroxyisobutyronitrile
- 2-Methyllactonitrile
- Acetone cyanhydrin
- Acetone cyanohydrin
- acetone-cyanohydrin
- alpha-Hydroxyisobutyronitrile
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Chemical Formula: |
C4H7NO |
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| Average Molecular Weight: |
85.105 |
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| Monoisotopic Molecular
Weight: |
85.052765 |
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| InChI Key: |
MWFMGBPGAXYFAR-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-hydroxy-2-methylpropanenitrile |
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Traditional IUPAC Name: |
acetone cyanohydrin |
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| SMILES: | CC(O)(C)C#N |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic oxygen compounds |
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| Sub Class | Organooxygen compounds |
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Direct Parent |
Tertiary alcohols |
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| Alternative Parents |
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| Substituents |
- Tertiary alcohol
- Alpha-hydroxynitrile
- Cyanohydrin
- Nitrile
- Carbonitrile
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Not Available |
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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: |
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References |
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| References: |
- Magrane M, Consortium U: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [21447597 ]
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| Synthesis Reference: |
Not Available |
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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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