Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:33:15 UTC |
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Update Date | 2016-11-09 01:09:16 UTC |
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Accession Number | CHEM004042 |
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Identification |
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Common Name | Isobutyronitrile |
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Class | Small Molecule |
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Description | An aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups. |
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Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- 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-Cyano-1-methylethane | ChEBI | 2-Cyanopropane | ChEBI | 2-Methylpropane nitrile | ChEBI | 2-Methylpropanenitrile | ChEBI | 2-Methylpropionitrile | ChEBI | alpha-Methylpropanenitrile | ChEBI | Dimethylacetonitrile | ChEBI | Isopropyl cyanide | ChEBI | Isopropyl nitrile | ChEBI | Isopropylnitrile | ChEBI | a-Methylpropanenitrile | Generator | Α-methylpropanenitrile | Generator | Isobutyronitrile | MetaCyc |
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Chemical Formula | C4H7N |
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Average Molecular Mass | 69.107 g/mol |
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Monoisotopic Mass | 69.058 g/mol |
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CAS Registry Number | 78-82-0 |
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IUPAC Name | 2-methylpropanenitrile |
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Traditional Name | isobutyronitrile |
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SMILES | CC(C)C#N |
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InChI Identifier | InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3 |
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InChI Key | LRDFRRGEGBBSRN-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
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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 cyanides |
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Direct Parent | Nitriles |
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Alternative Parents | |
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Substituents | - Nitrile
- Carbonitrile
- Organopnictogen compound
- 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 | |
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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 | Isopropyl_cyanide |
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Chemspider ID | Not Available |
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ChEBI ID | 28638 |
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PubChem Compound ID | 6559 |
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Kegg Compound ID | C02420 |
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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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