| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:48:58 UTC |
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| Updated at | 2021-01-04 18:49:11 UTC |
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| CannabisDB ID | CDB005720 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 2,2'-Diethyl-1,1'-biphenyl |
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| Description | 2,2'-Diethylbiphenyl or 2,2'-Diethyl-1,1'-biphenyl is a diethylated derivative of biphenyl in which two ethyl substituents positioning at C-2 and C-2' of benzene rings. 2,2'-Diethylbiphenyl belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. 2,2'-Diethylbiphenyl is one of several structural isomers of diethylbiphenyl wherein two ethyl groups are substituted at different positions of benzene rings. 2,2'-Diethylbiphenyl is a neutral, hydrophobic molecule that is insoluble in water. Biphenyls and biphenyl derivatives occur naturally in coal tar, crude oil, and natural gas and can be isolated from these sources via distillation. Exposure to Biphenyls and biphenyl derivatives can cause necrosis in the liver and kidney, with regions of cirrhosis in liver; also, degenerative changes in heart muscle, damage to the central and peripheral nervous systems. Diethyl-1,1'-biphenyls are found in marijuana (cannabis) smoke. 2,2'-Diethyl-1,1'-biphenyl 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 | C16H18 |
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| Average Molecular Weight | 210.32 |
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| Monoisotopic Molecular Weight | 210.1409 |
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| IUPAC Name | 2,2'-diethyl-1,1'-biphenyl |
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| Traditional Name | 2,2'-diethyl-1,1'-biphenyl |
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| CAS Registry Number | 13049-35-9 |
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| SMILES | CCC1=CC=CC=C1C1=CC=CC=C1CC |
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| InChI Identifier | InChI=1S/C16H18/c1-3-13-9-5-7-11-15(13)16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3 |
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| InChI Key | VYVNYOJZPQVWHK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
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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 | Biphenyls and derivatives |
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| Direct Parent | Biphenyls and derivatives |
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| Alternative Parents | |
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| Substituents | - Biphenyl
- Aromatic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | 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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