| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:08:10 UTC |
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| Updated at | 2021-01-06 19:06:58 UTC |
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| CannabisDB ID | CDB005904 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Methylbenz[a]anthracene |
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| Description | Methylbenz[a]anthracene belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. Methylbenz[a]anthracene is possibly neutral. Benzo[a]anthracene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds. Benzo[a]anthracene is one ingredient of cigarette (T3DB). Methylbenz[a]anthracene 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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| 7-Methylbenzanthracene | MeSH | | 7-Methylbenz(a)anthracene | MeSH |
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| Chemical Formula | C19H14 |
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| Average Molecular Weight | 242.32 |
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| Monoisotopic Molecular Weight | 242.1096 |
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| IUPAC Name | 7-methyltetraphene |
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| Traditional Name | benz(A)anthracene-7-methyl |
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| CAS Registry Number | 2541-69-7 |
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| SMILES | CC1=C2C=CC3=CC=CC=C3C2=CC2=CC=CC=C12 |
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| InChI Identifier | InChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3 |
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| InChI Key | DIIFUCUPDHMNIV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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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