| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:48:45 UTC |
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| Updated at | 2021-01-04 18:49:11 UTC |
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| CannabisDB ID | CDB005718 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N,N'-Dimethyl-N,N'-diethyl-p-phenylene diamine |
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| Description | N,N'-Dimethyl-N,N'-diethyl-p-phenylene diamine is an alkylphenylene diamine. It is one of several alkylated derivatives of phenylene diamine wherein two methyl and two ethyl groups are substituted on the nitrogen of amino groups. N, N'-Dimethyl-N, N'-diethyl-p-phenylene diamine belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group. N, N'-Dimethyl-N,N'-diethyl-p-phenylene diamine 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 | C12H20N2 |
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| Average Molecular Weight | 192.31 |
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| Monoisotopic Molecular Weight | 192.1626 |
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| IUPAC Name | N1,N4-diethyl-N1,N4-dimethylbenzene-1,4-diamine |
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| Traditional Name | N1,N4-diethyl-N1,N4-dimethylbenzene-1,4-diamine |
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| CAS Registry Number | 24340-90-7 |
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| SMILES | CCN(C)C1=CC=C(C=C1)N(C)CC |
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| InChI Identifier | InChI=1S/C12H20N2/c1-5-13(3)11-7-9-12(10-8-11)14(4)6-2/h7-10H,5-6H2,1-4H3 |
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| InChI Key | VAHAAUXWCIRAKG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group. |
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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 | Amines |
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| Direct Parent | Dialkylarylamines |
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| Alternative Parents | |
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| Substituents | - Aniline or substituted anilines
- Dialkylarylamine
- Benzenoid
- Monocyclic benzene moiety
- Organopnictogen compound
- Hydrocarbon derivative
- 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 |
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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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