Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:31:07 UTC |
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Update Date | 2016-10-28 10:01:14 UTC |
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Accession Number | CHEM003975 |
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Identification |
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Common Name | N-Nitrosomorpholine |
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Class | Small Molecule |
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Description | A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco. |
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Contaminant Sources | - Clean Air Act Chemicals
- Disinfection Byproducts
- HPV EPA Chemicals
- IARC Carcinogens Group 2B
- 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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N-Nitrosomorpholin | ChEBI | Nitrosomorpholine | ChEBI | alpha-Acetoxy-N-nitrosomorpholine | MeSH |
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Chemical Formula | C4H8N2O2 |
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Average Molecular Mass | 116.120 g/mol |
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Monoisotopic Mass | 116.059 g/mol |
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CAS Registry Number | 59-89-2 |
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IUPAC Name | 4-nitrosomorpholine |
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Traditional Name | N-nitrosomorpholine |
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SMILES | O=NN1CCOCC1 |
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InChI Identifier | InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2 |
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InChI Key | ZKXDGKXYMTYWTB-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Oxazinanes |
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Sub Class | Morpholines |
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Direct Parent | Morpholines |
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Alternative Parents | |
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Substituents | - Morpholine
- Organic n-nitroso compound
- Organic nitroso compound
- Oxacycle
- Azacycle
- Ether
- Dialkyl ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | |
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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 | Not Available |
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ChEBI ID | 76326 |
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PubChem Compound ID | 6046 |
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Kegg Compound ID | C19283 |
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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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