Triethylamine (CHEM004171)

Record Information
Version1.0
Creation Date2016-05-19 01:36:29 UTC
Update Date2026-08-23 07:38:05 UTC
Accession NumberCHEM004171
Identification
Common NameTriethylamine
ClassSmall Molecule
Description
A tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(C2H5)3NChEBI
(Diethylamino)ethaneChEBI
N,N,N-TriethylamineChEBI
N,N-DiethylethanamineChEBI
NEt3ChEBI
TEAChEBI
TENChEBI
TriaethylaminChEBI
TriethylaminChEBI
Triethylamine acetateMeSH
Triethylamine dinitrateMeSH
Triethylamine hydrobromideMeSH
Triethylamine hydrochlorideMeSH
Triethylamine maleate (1:1)MeSH
Triethylamine phosphateMeSH
Triethylamine phosphate (1:1)MeSH
Triethylamine phosphonate (1:1)MeSH
Triethylamine sulfateMeSH
Triethylamine sulfate (2:1)MeSH
Triethylamine sulfite (1:1)MeSH
Triethylamine sulfite (2:1)MeSH
Triethylammonium formateMeSH
DiethylaminoethaneHMDB
N,N-Diethyl-ethanamineHMDB
TrietilaminaHMDB
Chemical FormulaC6H15N
Average Molecular Mass101.190 g/mol
Monoisotopic Mass101.120 g/mol
CAS Registry Number121-44-8
IUPAC Nametriethylamine
Traditional Nametriethylamine
SMILESCCN(CC)CC
InChI IdentifierInChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
InChI KeyZMANZCXQSJIPKH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentTrialkylamines
Alternative Parents
Substituents
  • Tertiary aliphatic amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • 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 Solubility137 g/LALOGPS
logP1.57ALOGPS
logP1.26ChemAxon
logS0.13ALOGPS
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.24 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity34.23 m³·mol⁻¹ChemAxon
Polarizability13.48 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
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
External Links
DrugBank IDNot Available
HMDB IDHMDB0032539
FooDB IDFDB010411
Phenol Explorer IDNot Available
KNApSAcK IDC00050499
BiGG IDNot Available
BioCyc IDTRIETHYLAMINE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTriethylamine
Chemspider ID8158
ChEBI ID35026
PubChem Compound ID8471
Kegg Compound IDC14691
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=24359525
2. EAFUS: Everything Added to Food in the United States.