1,2-Ethanediamine (CHEM004128)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 01:35:25 UTC
Update Date2026-04-16 21:11:47 UTC
Accession NumberCHEM004128
Identification
Common Name1,2-Ethanediamine
ClassSmall Molecule
DescriptionAn alkane-alpha,omega-diamine in which the alkane is ethane.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HMDB Contaminants - Urine
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
enChEBI
1,2-diamino-EthaanHMDB
1,2-diamino-EthanoHMDB
1,2-DiaminoaethanHMDB
1,2-DiaminoethaneHMDB, MeSH
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, MeSH
EthyleendiamineHMDB
EthylendiamineHMDB
Ethylene diamineHMDB
Ethylene-diamineHMDB
EthylenediamineHMDB
Ethylenediamine anhydrousHMDB
Ethylenediamine, 8ciHMDB
Ethylenediamine, piperazine polymerHMDB
H2NCH2CH2NH2HMDB
Ethylenediamine (1:1) sulfiteMeSH, HMDB
Ethylenediamine dihydroiodideMeSH, HMDB
Ethylenediamine dihydrochlorideMeSH, HMDB
Ethylenediamine dinitrateMeSH, HMDB
Ethylenediamine phosphateMeSH, HMDB
Ethylenediamine sulfateMeSH, HMDB
Ethylenediamine (1:1) sulfateMeSH, HMDB
Ethylenediamine conjugate acidMeSH, HMDB
Ethylenediamine monohydrochlorideMeSH, HMDB
EdamineMeSH, HMDB
Ethyl diamineMeSH, HMDB
Ethylenediamine dihydrobromideMeSH, HMDB
Ethylenediamine dihydrogen iodideMeSH, HMDB
Ethylenediamine hydrochlorideMeSH, HMDB
Ethylenediamine, 3H-labeled CPDMeSH, HMDB
1,2-EthanediamineChEBI
Chemical FormulaC2H8N2
Average Molecular Mass60.098 g/mol
Monoisotopic Mass60.069 g/mol
CAS Registry Number107-15-3
IUPAC Nameethane-1,2-diamine
Traditional Nameethylenediamine
SMILESNCCN
InChI IdentifierInChI=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
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot 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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
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 GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
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
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-9cf36baccac69593c69fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-9cf36baccac69593c69fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-9cf36baccac69593c69fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9000000000-268d8f24426d56d27838Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-a0ca1f5037bdb751c6e0Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-c17155690cadde11117dSpectrum
MSMass Spectrum (Electron Ionization)splash10-0udi-9000000000-eea8b0eac54fc00ef1d7Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0031225
FooDB IDFDB003249
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD-3682
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkEthylenediamine
Chemspider ID13835550
ChEBI ID30347
PubChem Compound ID3301
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
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.