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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 | PAMDB001424 |
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Identification |
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| Name: |
beta-Aminopropionitrile |
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| Description: | Beta-Aminopropionitrile is a toxic amino-acid derivative. It is an metabolite in beta-alanine metabolism and converted to beta-alanine. It is also an intermediate in cyanoamino acid metablism. (KEGG) |
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Structure |
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| Synonyms: | - β-alaminenitrile
- β-alaninenitrile
- β-cyanoethylamine
- 2-Cyanoethylamine
- 3-amino-propatenitrile
- 3-amino-propionitrile,
- 3-Aminopropanenitrile
- 3-Aminopropionitrile
- 3-Aminopropiononitrile
- Aminopropionitrile
- B-Alaminenitrile
- B-Alaninenitrile
- B-Aminoethyl cyanide
- B-Aminopropionitrile
- B-Cyanoethylamine
- BAPN
- Beta-Alaminenitrile
- Beta-Alaninenitrile
- Beta-Aminoethyl cyanide
- Beta-Aminopropionitrile
- Beta-Cyanoethylamine
- β-Alaminenitrile
- β-Alaninenitrile
- β-Aminoethyl cyanide
- β-Aminopropionitrile
- β-Cyanoethylamine
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Chemical Formula: |
C3H6N2 |
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| Average Molecular Weight: |
70.0931 |
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| Monoisotopic Molecular
Weight: |
70.053098202 |
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| InChI Key: |
AGSPXMVUFBBBMO-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2 |
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| CAS
number: |
151-18-8 |
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| IUPAC Name: | 3-aminopropanenitrile |
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Traditional IUPAC Name: |
β aminopropionitrile |
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| SMILES: | NCCC#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 | Organonitrogen compounds |
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Class |
Nitriles |
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| Sub Class | Not Available |
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Direct Parent |
Nitriles |
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| Alternative Parents |
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| Substituents |
- Nitrile
- Carbonitrile
- Hydrocarbon derivative
- Primary amine
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | 1 |
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Melting point: |
< 25 °C |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Dembinski J, Heyl W, Steidel K, Hermanns B, Hornchen H, Schroder W: The Cantrell-sequence: a result of maternal exposure to aminopropionitriles? Am J Perinatol. 1997 Oct;14(9):567-71. Pubmed: 9394169
- Fleisher JH, Peacock EE Jr, Chvapil M: Urinary excretion of beta-aminopropionitrile and cyanoacetic acid. Clin Pharmacol Ther. 1978 May;23(5):520-4. Pubmed: 639425
- Harrison CA, Gossiel F, Bullock AJ, Sun T, Blumsohn A, Mac Neil S: Investigation of keratinocyte regulation of collagen I synthesis by dermal fibroblasts in a simple in vitro model. Br J Dermatol. 2006 Mar;154(3):401-10. Pubmed: 16445767
- Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
- Peacock EE Jr: Pharmacological control of surgical scar tissue. Am Surg. 1978 Nov;44(11):693-8. Pubmed: 367235
- Spencer PS, Schaumburg HH: Lathyrism: a neurotoxic disease. Neurobehav Toxicol Teratol. 1983 Nov-Dec;5(6):625-9. Pubmed: 6422318
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| Synthesis Reference: |
Smolin, Edwin M.; Beegle, L. Clair. Continuous high-pressure synthesis of 3-aminopropionitrile. Journal of Industrial and Engineering Chemistry (Washington, D. C.) (1958), 50 1115-18. |
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| Material Safety Data Sheet (MSDS) |
Download (PDF) |
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Links |
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| External Links: |
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