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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB120029 |
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Identification |
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| Name: |
acrylonitrile |
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| Description: | A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group. |
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Structure |
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| Synonyms: | - 2-propenenitrile
- Acrylnitril
- Acrylonitrile
- Acrylsäurenitril
- cyanure de vinyle
- nitrile acrylique
- Propenenitrile
- Vinyl cyanide
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Chemical Formula: |
C3H3N |
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| Average Molecular Weight: |
53.063 |
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| Monoisotopic Molecular
Weight: |
53.02655 |
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| InChI Key: |
NLHHRLWOUZZQLW-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | acrylonitrile |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C=CC#N |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as nitriles. These 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 |
- aliphatic nitrile (CHEBI:28217)
- Fumigants (C01998)
- a nitrile (ACRYLONITRILE)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Ghanayem BI, Nyska A, Haseman JK, Bucher JR (2002)Acrylonitrile is a multisite carcinogen in male and female B6C3F1 mice. Toxicological sciences : an official journal of the Society of Toxicology 68, Pubmed: 12075111
- Sun X, Sun M, Xie Y, Zhai W, Zhu W, Ma R, Lu R, Xu W (2014)Cytotoxic effects of acrylonitrile on human umbilical cord mesenchymal stem cells in vitro. Molecular medicine reports 9, Pubmed: 24248151
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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