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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2009-11-30 15:51:23 UTC
Update Date2020-02-26 21:38:23 UTC
HMDB IDHMDB0013231
Secondary Accession Numbers
  • HMDB13231
Metabolite Identification
Common NameEthylamine
DescriptionEthylamine, also known as 1-aminoethane or ethanamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces. Ethylamine is a very strong basic compound (based on its pKa). Ethylamine exists in all living organisms, ranging from bacteria to humans. Ethylamine is an ammonia and fishy tasting compound. Outside of the human body, Ethylamine is found, on average, in the highest concentration within a few different foods, such as barley, apples, and corns and in a lower concentration in white cabbages, wild carrots, and cabbages. Ethylamine has also been detected, but not quantified in, several different foods, such as black elderberries, common grapes, french plantains, soy beans, and spinachs. This could make ethylamine a potential biomarker for the consumption of these foods. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. Ethylamine is a potentially toxic compound.
Structure
Data?1582753103
Synonyms
ValueSource
1-AminoethaneChEBI
AminoethaneChEBI
ETHANAMINEChEBI
AethylamineHMDB
Ethyl amineHMDB
Ethylamine solutionHMDB
EtilaminaHMDB
EtyloaminaHMDB
MonoethylamineHMDB
Ethylamine hydrochlorideMeSH
Ethylamine hydrobromideMeSH
Ethylamine, 14C-labeledMeSH
Chemical FormulaC2H7N
Average Molecular Weight45.0837
Monoisotopic Molecular Weight45.057849229
IUPAC Nameethanamine
Traditional Nameethylamine
CAS Registry Number75-04-7
SMILES
CCN
InChI Identifier
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
InChI KeyQUSNBJAOOMFDIB-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
Physiological effect

Health effect:

Disposition

Route of exposure:

Biological location:

Source:

Role

Environmental role:

Industrial application:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-81.2 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-0.13HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
Water Solubility367 g/LALOGPS
logP-0.2ALOGPS
logP-0.27ChemAxon
logS0.9ALOGPS
pKa (Strongest Basic)10.23ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity14.67 m³·mol⁻¹ChemAxon
Polarizability5.75 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001j-9000000000-6aa6ace25db55efb49ccSpectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0002-9000000000-033f05ec7cce649f8009Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0002-9000000000-2639db170e818688d7abSpectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03di-9200000000-0a455838aa5b351373a0Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03fr-9100000000-bee30c9a05e01b4aad87Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-02di-9100000000-bd259a9e5886b3b57cabSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-274e873dba0d4ad103b7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-6e85adff9c6b1415c0c5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-a836286cd9de57a2ad46Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-6ace2b096232f6eaf08eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-98a7d493e57f6a7cec1fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-52fc39e2fe2d45ff7588Spectrum
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-e422139902e26a3df1feSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.57 +/- 0.13 uMAdult (>18 years old)BothNormal details
BloodExpected but not Quantified Not AvailableNot Available
Normal
    details
    FecesDetected but not Quantified Adult (>18 years old)Both
    Normal
    details
    UrineDetected but not Quantified Not AvailableNot AvailableNormal details
    Abnormal Concentrations
    BiospecimenStatusValueAgeSexConditionReferenceDetails
    BloodDetected and Quantified1.53 +/- 0.23 uMAdult (>18 years old)Bothuremia details
    UrineDetected but not Quantified Adult (>18 years old)BothBladder cancer details
    Associated Disorders and Diseases
    Disease References
    Uremia
    1. Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]
    Associated OMIM IDsNone
    DrugBank IDNot Available
    Phenol Explorer Compound IDNot Available
    FoodDB IDFDB003242
    KNApSAcK IDNot Available
    Chemspider ID6101
    KEGG Compound IDC00797
    BioCyc IDETHANAMINE
    BiGG IDNot Available
    Wikipedia LinkEthylamine
    METLIN IDNot Available
    PubChem Compound6341
    PDB IDNEH
    ChEBI ID15862
    Food Biomarker OntologyNot Available
    VMH IDNot Available
    References
    Synthesis ReferenceNot Available
    Material Safety Data Sheet (MSDS)Not Available
    General References
    1. Mitchell SC, Zhang AQ, Smith RL: Ethylamine in human urine. Clin Chim Acta. 2000 Dec;302(1-2):69-78. [PubMed:11074065 ]
    2. Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]