| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:47 UTC |
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| Update date | 2017-01-19 02:36:37 UTC |
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| FoodComEx ID | PC000804 |
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| FoodDB Record | FDB022799 |
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| Chemical Information |
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| Name | 1-Phenylethylamine |
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| Description | 1-Phenylethylamine, or alpha-phenethylamine, is an amine. Individual enantiomers of this basic compound are useful for performing chiral resolution of acidic compounds by forming diastereomeric salts. -- Wikipedia [HMDB] |
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| CAS Number | 98-84-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (1-Aminoethyl)benzene | hmdb | | 1-Amino-1-phenylethane | hmdb | | 1-Fenylethylamin | hmdb | | 1-Phenyl-1-ethanamine | hmdb | | 1-Phenylethanamine | hmdb | | 1-Phenylethylamine | hmdb | | a-aminoethylbenzene | hmdb | | a-methylbenzenemethanamine | hmdb | | a-methylbenzylamine | hmdb | | a-phenethylamine | hmdb | | a-phenylethylamine | hmdb | | alpha-aminoethylbenzene | hmdb | | alpha-methylbenzenemethanamine | hmdb | | Alpha-methylbenzylamine | hmdb | | alpha-phenethylamine | hmdb | | Alpha-phenylethylamine | hmdb | | Sumine 2079 | hmdb | | α-aminoethylbenzene | Generator | | α-methylbenzenemethanamine | Generator | | α-methylbenzylamine | Generator | | α-phenylethylamine | Generator |
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| Chemical Formula | C8H11N |
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| IUPAC name | 1-phenylethan-1-amine |
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| InChI Identifier | InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3 |
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| InChI Key | RQEUFEKYXDPUSK-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(N)C1=CC=CC=C1 |
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| Average Molecular Weight | 121.1796 |
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| Monoisotopic Molecular Weight | 121.089149357 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
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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 | Amines |
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| Direct Parent | Aralkylamines |
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| Alternative Parents | |
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| Substituents | - Aralkylamine
- Benzenoid
- Monocyclic benzene moiety
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Primary aliphatic amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 500 mg |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
