| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:43:16 UTC |
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| Updated at | 2021-01-04 18:49:05 UTC |
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| CannabisDB ID | CDB005663 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3,3-Dimethylcyclobutanecarbonitrile |
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| Description | 3,3-Dimethylcyclobutanecarbonitrile also known as 3,3-dimethylcyclobutane-1-carbonitrile belongs to the class of organic compounds known as nitriles. Nitriles are compounds having the structure RCN; thus they are C-substituted derivatives of hydrocyanic acid, HCN. 3,3-Dimethylcyclobutanecarbonitrile is also classified as an alkylcyclobutanecarbonitrile and is a dimethyl derivative of cyclobutanecarbonitrile in which two methyl groups positioning at C-3 and C-3 of the cyclobutane ring. 3,3-Dimethylcyclobutanecarbonitrile is a constituent of cannabis smoke and is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C7H11N |
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| Average Molecular Weight | 109.17 |
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| Monoisotopic Molecular Weight | 109.0891 |
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| IUPAC Name | 3,3-dimethylcyclobutane-1-carbonitrile |
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| Traditional Name | 3,3-dimethylcyclobutane-1-carbonitrile |
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| CAS Registry Number | 53783-86-1 |
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| SMILES | CC1(C)CC(C1)C#N |
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| InChI Identifier | InChI=1S/C7H11N/c1-7(2)3-6(4-7)5-8/h6H,3-4H2,1-2H3 |
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| InChI Key | JGQKDUIQJBOXRM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Organic cyanides |
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| Direct Parent | Nitriles |
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| Alternative Parents | |
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| Substituents | - Nitrile
- Carbonitrile
- Organopnictogen compound
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| Physical Properties |
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| State | 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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