| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:08:28 UTC |
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| Updated at | 2021-01-06 19:06:59 UTC |
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| CannabisDB ID | CDB005907 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-Ethylchrysene |
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| Description | 1-Ethylchrysene belongs to the class of organic compounds known as chrysenes. Chrysenes are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene. 1-Ethylchrysene is possibly neutral. 1-Ethylchrysene is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3-Ethylchrysene | MeSH | | Ethylchrysene | MeSH |
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| Chemical Formula | C20H16 |
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| Average Molecular Weight | 256.35 |
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| Monoisotopic Molecular Weight | 256.1252 |
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| IUPAC Name | 1-ethylchrysene |
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| Traditional Name | 1-ethylchrysene |
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| CAS Registry Number | 6705-11-9 |
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| SMILES | CCC1=CC=CC2=C3C=CC4=CC=CC=C4C3=CC=C12 |
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| InChI Identifier | InChI=1S/C20H16/c1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19/h3-13H,2H2,1H3 |
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| InChI Key | TWOSGOLFNJPHJX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as chrysenes. Chrysenes are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenanthrenes and derivatives |
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| Sub Class | Chrysenes |
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| Direct Parent | Chrysenes |
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| Alternative Parents | |
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| Substituents | - Chrysene
- Naphthalene
- Aromatic hydrocarbon
- Polycyclic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic 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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