DIETHYLAMINOETHANOL (CHEM005323)

Record Information
Version1.0
Creation Date2016-05-19 02:00:36 UTC
Update Date2026-08-23 07:42:25 UTC
Accession NumberCHEM005323
Identification
Common NameDIETHYLAMINOETHANOL
ClassSmall Molecule
Description
A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups.
Contaminant Sources
  • 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
beta-(Diethylamino)ethyl alcoholChEBI
beta-HydroxytriethylamineChEBI
DEAEChEBI
Diethyl(2-hydroxyethyl)amineChEBI
DiethylaminoethanolChEBI
DiethylethanolamineChEBI
DiethylmonoethanolamineChEBI
N,N-Diethyl-2-aminoethanolChEBI
N,N-Diethyl-N-(beta-hydroxyethyl)amineChEBI
N,N-DiethylethanolamineChEBI
b-(Diethylamino)ethyl alcoholGenerator
Β-(diethylamino)ethyl alcoholGenerator
b-HydroxytriethylamineGenerator
Β-hydroxytriethylamineGenerator
N,N-Diethyl-N-(b-hydroxyethyl)amineGenerator
N,N-Diethyl-N-(β-hydroxyethyl)amineGenerator
2-(N,N-Dimethylamino)ethanol hydrochlorideMeSH
2-(Dimethylamino)ethanol hydrochlorideMeSH
2-Diethylaminoethanol hydrochlorideMeSH
2-Diethylaminoethanol hydrochloride, 14C-labeledMeSH
2-Diethylaminoethanol sulfate (2:1)MeSH
2-Diethylaminoethanol tartrateMeSH
2-Diethylaminoethanol, sodium saltMeSH
Deanol hydrochlorideMeSH
Ethanol, 2-(dimethylamino)-, hydrochloride (1:1)MeSH
Ethanol, 2-dimethylamino-, hydrochlorideMeSH
(2-Hydroxyethyl)diethylamineHMDB
(diethylamino)EthanolHMDB
-DiethylaminoHMDB
2-(diethylamino)-EthanolHMDB
2-(diethylamino)EthanolHMDB
2-(diethylamino)Ethyl alcoholHMDB
2-(N,N-diethylamino)EthanolHMDB
2-DiethylaminoHMDB
2-diethylamino-EthanolHMDB
2-Diethylaminoethanol, 9ciHMDB
2-HydroxytriethylamineHMDB
2-N-(diethylamino)EthanolHMDB
2-N-DiethylaminoethanolHMDB
beta-(diethylamino)EthanolHMDB
beta-DiethylaminoethanolHMDB
beta-Diethylaminoethyl alcoholHMDB
DehydasalHMDB
DiaethylaminoaethanolHMDB
diethylamino EthanolHMDB
ETHANOL,2-diethylaminoHMDB
N, N-DiethylethanolamineHMDB
N,N-Diethyl-2-hydroxyethylamineHMDB
N,N-DiethylaminoethanolHMDB
N,N-DiethylmonoethanolamineHMDB
N-(diethylamino)EthanolHMDB
N-DiethylaminoethanolHMDB
Pennad 150HMDB
PerdilatonHMDB
Chemical FormulaC6H15NO
Average Molecular Mass117.189 g/mol
Monoisotopic Mass117.115 g/mol
CAS Registry Number100-37-8
IUPAC Name2-(diethylamino)ethan-1-ol
Traditional NameDEAE
SMILESCCN(CC)CCO
InChI IdentifierInChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
InChI KeyBFSVOASYOCHEOV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct Parent1,2-aminoalcohols
Alternative Parents
Substituents
  • Tertiary aliphatic amine
  • Tertiary amine
  • 1,2-aminoalcohol
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • 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 Solubility665 g/LALOGPS
logP0.56ALOGPS
logP0.21ChemAxon
logS0.75ALOGPS
pKa (Strongest Acidic)15.59ChemAxon
pKa (Strongest Basic)9.55ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity35.78 m³·mol⁻¹ChemAxon
Polarizability14.46 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 IDHMDB0033971
FooDB IDFDB012202
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link2-Diethylaminoethanol
Chemspider ID13842001
ChEBI ID52153
PubChem Compound ID7497
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
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