| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 01:53:43 UTC |
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| Update date | 2015-07-21 06:59:41 UTC |
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| Primary ID | FDB029308 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 1,2-Diaminopropane |
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| Description | 1,2 Diaminopropane, also known as 1,2-propanediamine or pn, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Based on a literature review very few articles have been published on 1,2 Diaminopropane. |
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| CAS Number | 78-90-0 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C3H10N2 |
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| IUPAC name | propane-1,2-diamine |
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| InChI Identifier | InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 |
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| InChI Key | AOHJOMMDDJHIJH-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(N)CN |
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| Average Molecular Weight | 74.1249 |
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| Monoisotopic Molecular Weight | 74.08439833 |
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| Classification |
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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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| Ontology |
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| Disposition | Biological location: Source: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| GC-MS | 1,2-Diaminopropane, 4 TMS, GC-MS Spectrum | splash10-00dr-1910000000-52431b6235f3e8bfd314 | Spectrum | | GC-MS | 1,2-Diaminopropane, non-derivatized, GC-MS Spectrum | splash10-0006-9000000000-7068ac8876741712c4d6 | Spectrum | | GC-MS | 1,2-Diaminopropane, non-derivatized, GC-MS Spectrum | splash10-0006-9000000000-c21c110ad3799b0d0f50 | Spectrum | | GC-MS | 1,2-Diaminopropane, non-derivatized, GC-MS Spectrum | splash10-004i-9000000000-5fc585665daf48429130 | Spectrum | | GC-MS | 1,2-Diaminopropane, non-derivatized, GC-MS Spectrum | splash10-00dr-1910000000-52431b6235f3e8bfd314 | Spectrum | | Predicted GC-MS | 1,2-Diaminopropane, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001l-9000000000-c5ad3dcac488df38d491 | Spectrum | | Predicted GC-MS | 1,2-Diaminopropane, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056r-9000000000-fc1db8021a653e7eaef2 | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-bff21a5b100ee5790fe8 | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-095eaecbf477e62818cb | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-9000000000-7ccd7f8ca4291ee8162f | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9000000000-03b7521a589d525da1cb | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-dcaa314863e8f9f7ad0b | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056r-9000000000-f58fd4643af88883a947 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-3537bdd2abf08132a8ca | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-03fee04e9a6e75b7c1e0 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-9000000000-91a052e80d85b1ff810d | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05fr-9000000000-af65e4dddf06600b30ff | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05fu-9000000000-10280867c8a22fd732d2 | 2021-09-22 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 13849260 |
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| ChEMBL ID | CHEMBL1319459 |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 6567 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB13136 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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