| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:35:25 UTC |
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| Update Date | 2016-11-09 01:09:17 UTC |
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| Accession Number | CHEM004128 |
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| Identification |
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| Common Name | 1,2-Ethanediamine |
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| Class | Small Molecule |
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| Description | An alkane-alpha,omega-diamine in which the alkane is ethane. |
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| Contaminant Sources | - Clean Air Act Chemicals
- EAFUS Chemicals
- FooDB Chemicals
- HMDB Contaminants - Urine
- HPV EPA Chemicals
- OECD HPV Chemicals
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| en | ChEBI | | 1,2-diamino-Ethaan | HMDB | | 1,2-diamino-Ethano | HMDB | | 1,2-Diaminoaethan | HMDB | | 1,2-Diaminoethane | HMDB, MeSH | | 1,2-Ethanediamine, homopolymer | HMDB | | 1,2-Ethanediamine, hydrochloride (1:1) | HMDB | | 1,2-Ethanediamine, monohydrochloride | HMDB | | 1,2-Ethylenediamine | HMDB | | 2-Aminoethylammonium chloride | HMDB | | 333-18-6 (Di-hydrochloride) | HMDB | | 5700-49-2 (Di-hydriodide) | HMDB | | 624-59-9 (Di-hydrobromide) | HMDB | | Aethaldiamin | HMDB | | Aethylenediamin | HMDB | | Algicode 106l | HMDB | | Amerstat 274 | HMDB | | beta-Aminoethylamine | HMDB | | Diaminoethane | HMDB | | Dimethylenediamine | HMDB | | ETHANE,1,2-diamino | HMDB | | Ethane-1,2-diamine | HMDB, MeSH | | Ethyleendiamine | HMDB | | Ethylendiamine | HMDB | | Ethylene diamine | HMDB | | Ethylene-diamine | HMDB | | Ethylenediamine | HMDB | | Ethylenediamine anhydrous | HMDB | | Ethylenediamine, 8ci | HMDB | | Ethylenediamine, piperazine polymer | HMDB | | H2NCH2CH2NH2 | HMDB | | Ethylenediamine (1:1) sulfite | MeSH, HMDB | | Ethylenediamine dihydroiodide | MeSH, HMDB | | Ethylenediamine dihydrochloride | MeSH, HMDB | | Ethylenediamine dinitrate | MeSH, HMDB | | Ethylenediamine phosphate | MeSH, HMDB | | Ethylenediamine sulfate | MeSH, HMDB | | Ethylenediamine (1:1) sulfate | MeSH, HMDB | | Ethylenediamine conjugate acid | MeSH, HMDB | | Ethylenediamine monohydrochloride | MeSH, HMDB | | Edamine | MeSH, HMDB | | Ethyl diamine | MeSH, HMDB | | Ethylenediamine dihydrobromide | MeSH, HMDB | | Ethylenediamine dihydrogen iodide | MeSH, HMDB | | Ethylenediamine hydrochloride | MeSH, HMDB | | Ethylenediamine, 3H-labeled CPD | MeSH, HMDB | | 1,2-Ethanediamine | ChEBI |
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| Chemical Formula | C2H8N2 |
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| Average Molecular Mass | 60.098 g/mol |
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| Monoisotopic Mass | 60.069 g/mol |
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| CAS Registry Number | 107-15-3 |
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| IUPAC Name | ethane-1,2-diamine |
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| Traditional Name | ethylenediamine |
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| SMILES | NCCN |
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| InChI Identifier | InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 |
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| InChI Key | PIICEJLVQHRZGT-UHFFFAOYSA-N |
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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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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-001i-9000000000-7161cac69670b52ad6d8 | Spectrum | | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-001i-9000000000-7161cac69670b52ad6d8 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9000000000-be1b3bae0b04dd47d3f2 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-422bce57d01a5c4b40da | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ox-9000000000-2adab4e206e74c6e4cdd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-10122dff1e9e2c5162ff | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-185f0df78bd120a2a575 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-474231ecdf536795c15a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9000000000-91445cb26017bea53317 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-9000000000-9cf36baccac69593c69f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9000000000-9cf36baccac69593c69f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-9cf36baccac69593c69f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-268d8f24426d56d27838 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-a0ca1f5037bdb751c6e0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-c17155690cadde11117d | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-0udi-9000000000-eea8b0eac54fc00ef1d7 | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0031225 |
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| FooDB ID | FDB003249 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | CPD-3682 |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Ethylenediamine |
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| Chemspider ID | 13835550 |
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| ChEBI ID | 30347 |
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| PubChem Compound ID | 3301 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | | 1. https://www.ncbi.nlm.nih.gov/pubmed/?term=21616561 | | 2. https://www.ncbi.nlm.nih.gov/pubmed/?term=3692019 | | 3. https://www.ncbi.nlm.nih.gov/pubmed/?term=7070713 | | 4. Downie C, Mao JG, Guloy AM: Synthesis and structure of [K(+)-(2,2)diaza-[18]-crown-6][K3Ge9]-2ethylenediamine: stabilization of the two-dimensional layer (2)(infinity)[K3Ge9(1-)]. Inorg Chem. 2001 Aug 27;40(18):4721-5. | | 5. Zhao J, Shi D, Chen L, Li Y, Ma P, Wang J, Niu J: Novel polyoxometalate hybrids consisting of copper-lanthanide heterometallic/lanthanide germanotungstate fragments. Dalton Trans. 2012 Sep 21;41(35):10740-51. doi: 10.1039/c2dt30949a. Epub 2012 Jul 31. | | 6. Mong TK, Niu A, Chow HF, Wu C, Li L, Chen R: Beta-alanine-based dendritic beta-peptides: dendrimers possessing unusually strong binding ability towards protic solvents and their self-assembly into nanoscale aggregates through hydrogen-bond interactions. Chemistry. 2001 Feb 2;7(3):686-99. | | 7. van den Berg WH, van Ketel WG: [Contact allergy to ethylenediamine]. Ned Tijdschr Geneeskd. 1983 Oct 1;127(40):1801-2. | | 8. Vasileva N, Iotov V, Ivanov Y, Godjevargova T, Kotia N: Immobilization of beta-galactosidase on modified polypropilene membranes. Int J Biol Macromol. 2012 Dec;51(5):710-9. doi: 10.1016/j.ijbiomac.2012.07.032. Epub 2012 Aug 16. | | 9. Shehata MR, Shoukry MM, Osman AA, AbedelKarim AT: Speciation studies on the complex formation reactions of [Pd(N,N-diethyl-ethylendiamine)(H2O)2]2+ with some bio-relevant ligands and displacement reaction by mercaptoethylamine. Spectrochim Acta A Mol Biomol Spectrosc. 2011 Sep;79(5):1226-33. doi: 10.1016/j.saa.2011.04.047. Epub 2011 May 10. | | 10. Sokolova TV, Maslov MA, Serebrennikova GA: [Synthesis of cationic amphiphiles on the basis of deoxycholic acid]. Bioorg Khim. 2004 Sep-Oct;30(5):531-6. | | 11. Sawada S, Yaegashi T, Furuta T, Yokokura T, Miyasaka T: Chemical modification of an antitumor alkaloid, 20(S)-camptothecin: E-lactone ring-modified water-soluble derivatives of 7-ethylcamptothecin. Chem Pharm Bull (Tokyo). 1993 Feb;41(2):310-3. | | 12. Misirlic Dencic S, Poljarevic J, Vilimanovich U, Bogdanovic A, Isakovic AJ, Kravic Stevovic T, Dulovic M, Zogovic N, Isakovic AM, Grguric-Sipka S, Bumbasirevic V, Sabo T, Trajkovic V, Markovic I: Cyclohexyl analogues of ethylenediamine dipropanoic acid induce caspase-independent mitochondrial apoptosis in human leukemic cells. Chem Res Toxicol. 2012 Apr 16;25(4):931-9. doi: 10.1021/tx3000329. Epub 2012 Mar 22. | | 13. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. |
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