Record Information
Version1.0
Creation date2010-04-08 22:05:43 UTC
Update date2020-09-17 15:30:22 UTC
Primary IDFDB003242
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameEthanamine
DescriptionEthylamine, also known as 1-aminoethane or ethanamine, belongs to the class of organic compounds known as monoalkylamines which contain a primary aliphatic amine group. Ethylamine is a moderately basic compound with an ammonia and fishy taste and ammonia-like odor. Ethylamine exists in all living organisms, from bacteria to humans. Ethylamine is found in highest concentrations in barley, apples, and corns and in lower concentrations in white cabbages, wild carrots, and cabbages. Ethylamine was detected in black elderberries, common grapes, French plantains, soybeans, and spinachs making ethylamine a potential biomarker for the consumption of these foods. Ethylamine is precursor for herbicides and is found in rubber products (http//doi:10.1002/14356007.a02_001)
CAS Number75-04-7
Structure
Thumb
Synonyms
SynonymSource
1-AminoethaneChEBI
AminoethaneChEBI
ETHANAMINEChEBI
AethylamineHMDB
Ethyl amineHMDB
Ethylamine solutionHMDB
EtilaminaHMDB
EtyloaminaHMDB
MonoethylamineHMDB
Ethylamine hydrochlorideMeSH
Ethylamine hydrobromideMeSH
Ethylamine, 14C-labeledMeSH
Ethanamine, 9CIdb_source
EthylamineChEBI
Predicted Properties
PropertyValueSource
Water Solubility354 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
Chemical FormulaC2H7N
IUPAC nameethanamine
InChI IdentifierInChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
InChI KeyQUSNBJAOOMFDIB-UHFFFAOYSA-N
Isomeric SMILESCCN
Average Molecular Weight45.0837
Monoisotopic Molecular Weight45.057849229
Classification
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:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 53.28%; H 15.65%; N 31.07%DFC
Melting PointFp -80°DFC
Boiling PointBp 16.6°DFC
Experimental Water Solubility1000 mg/mL at 25 oCMERCK INDEX (1996)
Experimental logP-0.13HANSCH,C ET AL. (1995)
Experimental pKapKa 10.7DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-e422139902e26a3df1feSpectrum
Predicted GC-MSEthanamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001j-9000000000-6aa6ace25db55efb49ccSpectrum
Predicted GC-MSEthanamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0002-9000000000-033f05ec7cce649f8009Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0002-9000000000-2639db170e818688d7abSpectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03di-9200000000-0a455838aa5b351373a0Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-03fr-9100000000-bee30c9a05e01b4aad87Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-02di-9100000000-bd259a9e5886b3b57cabSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-274e873dba0d4ad103b7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-6e85adff9c6b1415c0c5Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-a836286cd9de57a2ad46Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-6ace2b096232f6eaf08eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-98a7d493e57f6a7cec1fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-52fc39e2fe2d45ff7588Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-e97e92727205304cdb09Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-e97e92727205304cdb09Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-ffdcb547a0eba6bb26fdSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-46fb6b0f3d2dcd71d159Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-46fb6b0f3d2dcd71d159Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-46fb6b0f3d2dcd71d159Spectrum
NMR
TypeDescriptionView
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
1D NMR13C NMR SpectrumSpectrum
ChemSpider ID6101
ChEMBL IDCHEMBL14449
KEGG Compound IDC00797
Pubchem Compound ID6341
Pubchem Substance IDNot Available
ChEBI ID15862
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB13231
CRC / DFC (Dictionary of Food Compounds) IDCTW55-W:CTW55-W
EAFUS ID1149
Dr. Duke IDETHYL-AMINE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNEH
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1245941
SuperScent IDNot Available
Wikipedia IDEthylamine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
ammonia
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
fishy
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).