Record Information |
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Version | 1.0 |
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Created at | 2020-04-27 16:48:14 UTC |
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Updated at | 2021-01-04 18:49:10 UTC |
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CannabisDB ID | CDB005713 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | Diethylphenylene diamine |
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Description | N,N-diethyl-o-phenylenediamine or 2-Amino-N,N-diethylaniline is a diethylated derivative of phenylenediamine in which two ethyl substituents positioning on the amino group. N, N-diethylphenylenediamine 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. There are three known isomers of phenylenediamine including o-, m- and p-phenylenediamine. Phenylenediamines are used as intermediates in the manufacture of pharmaceuticals and plastics. Diethylphenylenediamines are found in marijuana (cannabis) smoke. N, N-diethylphenylenediamine 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 | C10H16N2 |
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Average Molecular Weight | 164.25 |
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Monoisotopic Molecular Weight | 164.1313 |
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IUPAC Name | N1,N1-diethylbenzene-1,2-diamine |
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Traditional Name | N1,N1-diethylbenzene-1,2-diamine |
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CAS Registry Number | 19056-34-9 |
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SMILES | CCN(CC)C1=CC=CC=C1N |
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InChI Identifier | InChI=1S/C10H16N2/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3 |
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InChI Key | YNAKESQZGPZDDZ-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
- Primary amine
- 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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Spectra |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Diethylphenylene diamine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Diethylphenylene diamine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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NMR | Not Available |
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Pathways |
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Pathways | Not Available |
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Protein Targets |
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Enzymes | Not Available |
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Transporters | Not Available |
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Metal Bindings | Not Available |
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Receptors | Not Available |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 386969 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 437497 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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References |
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General References | Not Available |
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