| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:04 UTC |
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| Update date | 2017-01-19 02:36:15 UTC |
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| FoodComEx ID | PC000179 |
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| FoodDB Record | FDB005274 |
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| Chemical Information |
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| Name | 1,3-Diaminopropane |
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| Description | 1,3-Diaminopropane, also known as 1,3-propanediamine or tn, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. 1,3-Diaminopropane is a very strong basic compound (based on its pKa). 1,3-Diaminopropane exists in all living species, ranging from bacteria to humans. Outside of the human body, 1,3-Diaminopropane has been detected, but not quantified in, several different foods, such as cassava, shiitakes, oyster mushrooms, muscadine grapes, and cinnamons. This could make 1,3-diaminopropane a potential biomarker for the consumption of these foods. An alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. |
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| CAS Number | 109-76-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1,3-Diamino-n-propane | biospider | | 1,3-Diaminopropane | biospider | | 1,3-Propanediamine | biospider | | 1,3-Propylenediamine | biospider | | 1,3-Trimethylenediamine | biospider | | 3-Aminopropylamine | biospider | | a,w-Propanediamine | biospider | | alpha,omega-Propanediamine | biospider | | Propandiamine | biospider | | Propane-1,3-diamine | biospider | | tn | ChEBI | | Trimethylenediamine | manual |
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| Chemical Formula | C3H10N2 |
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| IUPAC name | propane-1,3-diamine |
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| InChI Identifier | InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 |
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| InChI Key | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
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| Isomeric SMILES | NCCCN |
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| Average Molecular Weight | 74.1249 |
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| Monoisotopic Molecular Weight | 74.08439833 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine 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 | Monoalkylamines |
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| Alternative Parents | |
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| Substituents | - Organopnictogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | -1.43 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | -12 oC | |
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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 200 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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| AKSci | A485 |
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| iChemical | 109-76-2 |
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| MetaSci | HMDB0000002 |
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| Sigma-Aldrich | HMDB0000002 |
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| Toronto Research Chemicals | D416660 |
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