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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2009-11-30 15:51:23 UTC
Update Date2017-10-23 19:06:08 UTC
HMDB IDHMDB0013231
Secondary Accession Numbers
  • HMDB13231
Metabolite Identification
Common NameEthylamine
DescriptionEthylamine is a simple aliphatic amine. It is component of normal human urine it has been suggested that this short chain aliphatic chain play significant role in the central nervous system disturbances observe during hepatic and renal disease especially when the blood brain barrier is compromised.(PMID: 11074065 ).
Structure
Thumb
Synonyms
ValueSource
1-AminoethaneChEBI
AminoethaneChEBI
AethylamineHMDB
Ethyl amineHMDB
Ethylamine solutionHMDB
EtilaminaHMDB
EtyloaminaHMDB
MonoethylamineHMDB
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
DescriptionThis compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganonitrogen compounds
ClassAmines
Sub ClassPrimary amines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological Location:

  Biofluid and excreta:

Source:

Route of exposure:

  Parenteral:

  Enteral:

Physiological effect

Health effect:

  Observation:

    Investigations:

  Health condition:

    Gastrointestinal disorders:

    Psychiatric disorders:

    Renal and urinary disorders:

    Nervous system disorders:

Role

Indirect biological role:

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
logS0.91ALOGPS
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001j-9000000000-6aa6ace25db55efb49ccView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0002-9000000000-033f05ec7cce649f8009View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0002-9000000000-2639db170e818688d7abView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03di-9200000000-0a455838aa5b351373a0View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03fr-9100000000-bee30c9a05e01b4aad87View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-02di-9100000000-bd259a9e5886b3b57cabView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-274e873dba0d4ad103b7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-6e85adff9c6b1415c0c5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-a836286cd9de57a2ad46View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-6ace2b096232f6eaf08eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-98a7d493e57f6a7cec1fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-52fc39e2fe2d45ff7588View in MoNA
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-e422139902e26a3df1feView in MoNA
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
Biological Properties
Cellular LocationsNot Available
Biofluid Locations
  • Blood
  • Feces
  • Urine
Tissue LocationNot Available
PathwaysNot Available
NameSMPDB/PathwhizKEGG
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
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
    BiofluidStatusValueAgeSexConditionReferenceDetails
    BloodDetected and Quantified1.53 +/- 0.23 uMAdult (>18 years old)Bothuremia details
    Associated Disorders and Diseases
    Disease ReferencesNone
    Associated OMIM IDsNone
    DrugBank IDNot Available
    DrugBank Metabolite IDNot Available
    Phenol Explorer Compound IDNot Available
    Phenol Explorer Metabolite IDNot Available
    FoodDB IDFDB003242
    KNApSAcK IDNot Available
    Chemspider ID6101
    KEGG Compound IDC00797
    BioCyc IDNot Available
    BiGG IDNot Available
    Wikipedia LinkEthylamine
    METLIN IDNot Available
    PubChem Compound6341
    PDB IDNEH
    ChEBI ID15862
    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 ]