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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:41:43 UTC
Update Date2019-07-23 06:08:17 UTC
HMDB IDHMDB0031225
Secondary Accession Numbers
  • HMDB31225
Metabolite Identification
Common Name1,2-Ethanediamine
Description1,2-Ethanediamine, also known as en or 1,2-diaminoethane, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. 1,2-Ethanediamine is a very strong basic compound (based on its pKa). An alkane-alpha,omega-diamine in which the alkane is ethane.
Structure
Data?1563862097
Synonyms
ValueSource
enChEBI
1,2-Diamino-ethaanHMDB
1,2-Diamino-ethanoHMDB
1,2-DiaminoaethanHMDB
1,2-DiaminoethaneHMDB
1,2-Ethanediamine, homopolymerHMDB
1,2-Ethanediamine, hydrochloride (1:1)HMDB
1,2-Ethanediamine, monohydrochlorideHMDB
1,2-EthylenediamineHMDB
2-Aminoethylammonium chlorideHMDB
333-18-6 (Di-hydrochloride)HMDB
5700-49-2 (Di-hydriodide)HMDB
624-59-9 (Di-hydrobromide)HMDB
AethaldiaminHMDB
AethylenediaminHMDB
Algicode 106lHMDB
Amerstat 274HMDB
beta-AminoethylamineHMDB
DiaminoethaneHMDB
DimethylenediamineHMDB
ETHANE,1,2-diaminoHMDB
Ethane-1,2-diamineHMDB
EthyleendiamineHMDB
EthylendiamineHMDB
Ethylene diamineHMDB
Ethylene-diamineHMDB
EthylenediamineHMDB
Ethylenediamine anhydrousHMDB
Ethylenediamine, 8ciHMDB
Ethylenediamine, piperazine polymerHMDB
H2NCH2CH2NH2HMDB
Ethylenediamine (1:1) sulfiteHMDB
Ethylenediamine dihydroiodideHMDB
Ethylenediamine dihydrochlorideHMDB
Ethylenediamine dinitrateHMDB
Ethylenediamine phosphateHMDB
Ethylenediamine sulfateHMDB
Ethylenediamine (1:1) sulfateHMDB
Ethylenediamine conjugate acidHMDB
Ethylenediamine monohydrochlorideHMDB
EdamineHMDB
Ethyl diamineHMDB
Ethylenediamine dihydrobromideHMDB
Ethylenediamine dihydrogen iodideHMDB
Ethylenediamine hydrochlorideHMDB
Ethylenediamine, 3H-labeled CPDHMDB
1,2-EthanediamineChEBI
Chemical FormulaC2H8N2
Average Molecular Weight60.0983
Monoisotopic Molecular Weight60.068748266
IUPAC Nameethane-1,2-diamine
Traditional Nameethylenediamine
CAS Registry Number107-15-3
SMILES
NCCN
InChI Identifier
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
InChI KeyPIICEJLVQHRZGT-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point11 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1000 mg/mLNot Available
LogP-2.04Not Available
Predicted Properties
PropertyValueSource
Water Solubility560 g/LALOGPS
logP-1.8ALOGPS
logP-1.4ChemAxon
logS0.97ALOGPS
pKa (Strongest Basic)9.69ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area52.04 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity17.87 m³·mol⁻¹ChemAxon
Polarizability7.08 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-7161cac69670b52ad6d8Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-7161cac69670b52ad6d8Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-be1b3bae0b04dd47d3f2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-422bce57d01a5c4b40daSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01ox-9000000000-2adab4e206e74c6e4cddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-10122dff1e9e2c5162ffSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9000000000-185f0df78bd120a2a575Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-474231ecdf536795c15aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-052f-9000000000-91445cb26017bea53317Spectrum
MSMass Spectrum (Electron Ionization)splash10-0udi-9000000000-eea8b0eac54fc00ef1d7Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003249
KNApSAcK IDNot Available
Chemspider ID13835550
KEGG Compound IDNot Available
BioCyc IDCPD-3682
BiGG IDNot Available
Wikipedia LinkEthylenediamine
METLIN IDNot Available
PubChem Compound3301
PDB IDNot Available
ChEBI ID30347
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB ID
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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. [PubMed:11511221 ]
  2. 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. [PubMed:22850981 ]
  3. 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. [PubMed:11261667 ]
  4. van den Berg WH, van Ketel WG: [Contact allergy to ethylenediamine]. Ned Tijdschr Geneeskd. 1983 Oct 1;127(40):1801-2. [PubMed:6226880 ]
  5. 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. [PubMed:22922114 ]
  6. 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. [PubMed:21640642 ]
  7. 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. [PubMed:15562975 ]
  8. 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. [PubMed:8500199 ]
  9. 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. [PubMed:22401584 ]
  10. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .