| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:56 UTC |
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| Update date | 2017-01-19 02:36:32 UTC |
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| FoodComEx ID | PC000683 |
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| FoodDB Record | FDB022835 |
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| Chemical Information |
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| Name | Cyanate |
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| Description | The cyanate ion is an anion consisting of one oxygen atom, one carbon atom, and one nitrogen atom, [OCN], in that order. The cyanate ion possesses 1 unit of negative charge, borne mainly by the nitrogen atom. In organic compounds the cyanate group is a functional group.; The cyanate ion is an ambident nucleophile in nucleophilic substitution because it can react to form an alkyl cyanate R-OCN (exception) or an alkyl isocyanate R-NCO (rule). Aryl cyanates (C6H5OCN) can be formed by a reaction of phenol with cyanogen chloride (ClCN) in the presence of a base. The cyanate ion is relatively non-toxic in comparison with cyanides. Use of this fact is made in cyanide decontamination processes where a permanganate oxidation converts toxic cyanide to safer cyanate. Cyanate can be decomposed by the enzyme cyanate lyase (or cyanase), which is found in bacteria and plants. In particular cyanate can be decomposed to carbamate (ammonia) and carbon dioxide. Alternately the same enzyme can be used to synthesize cyanate using carbamate and carbon dioxide. [HMDB] |
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| CAS Number | 71000-82-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| [C(N)O](-) | ChEBI | | Cyanat | ChEBI | | Cyanate ion | ChEBI | | Cyanic acid | hmdb | | Cyanic acid ion | Generator | | OCN(-) | ChEBI | | Zyanat | ChEBI |
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| Chemical Formula | CNO |
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| IUPAC name | cyanate |
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| InChI Identifier | InChI=1S/CHNO/c2-1-3/h3H/p-1 |
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| InChI Key | XLJMAIOERFSOGZ-UHFFFAOYSA-M |
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| Isomeric SMILES | [O-]C#N |
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| Average Molecular Weight | 42.0168 |
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| Monoisotopic Molecular Weight | 41.997988627 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as cyanates. These are organic compounds containing the cyanate functional group with the formula [OCN]-. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organic oxoanionic compounds |
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| Sub Class | Cyanates |
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| Direct Parent | Cyanates |
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| Alternative Parents | |
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| Substituents | - Organic cyanate
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 800 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| MetaSci | HMDB0002078 |
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| Sigma-Aldrich | HMDB0002078 |
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