Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:30:42 UTC |
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Update Date | 2016-10-28 10:01:25 UTC |
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Accession Number | CHEM003959 |
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Identification |
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Common Name | N-Nitrosodiethylamine |
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Class | Small Molecule |
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Description | Not Available |
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Contaminant Sources | - Clean Air Act Chemicals
- Disinfection Byproducts
- HPV EPA Chemicals
- IARC Carcinogens Group 2A
- STOFF IDENT Compounds
- Tobacco Smoke Compounds
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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1,1-Diethyl-2-oxohydrazine | ChEBI | DANA | ChEBI | DEN | ChEBI | Diethylnitrosamine | ChEBI | Diethylnitrosoamine | ChEBI | N,N-Diethylnitrosamine | ChEBI | N,N-Diethylnitrosoamine | ChEBI | NDEA | ChEBI | N Nitrosodiethylamine | MeSH | Nitrosodiethylamine | MeSH | N-Nitrosodiethylamine | MeSH |
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Chemical Formula | C4H10N2O |
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Average Molecular Mass | 102.137 g/mol |
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Monoisotopic Mass | 102.079 g/mol |
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CAS Registry Number | 55-18-5 |
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IUPAC Name | diethyl(nitroso)amine |
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Traditional Name | DANA |
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SMILES | CCN(CC)N=O |
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InChI Identifier | InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3 |
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InChI Key | WBNQDOYYEUMPFS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as organic n-nitroso compounds. These are organic compounds containing a n-nitroso group -NN=O. |
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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 | Organic nitroso compounds |
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Direct Parent | Organic N-nitroso compounds |
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Alternative Parents | |
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Substituents | - Organic n-nitroso compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , positive | splash10-0ufr-5900000000-0475fabe089432c2a18b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , positive | splash10-0ufr-5900000000-b83fcf0874d7dab0cfe0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , positive | splash10-0ufr-5900000000-94ccf2c76c771e647ad0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , positive | splash10-0fb9-9800000000-518855c86a756d8fd705 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , positive | splash10-004i-9400000000-c456b0d1442976025a04 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT , positive | splash10-004i-9200000000-7ac66a868918bcc8a3d6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | 5708 |
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ChEBI ID | 34873 |
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PubChem Compound ID | 5921 |
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Kegg Compound ID | C14422 |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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