Diethylethanolamine

C₆H₁₅NOCAS 100-37-8117.19 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₆H₁₅NO
Molar mass: 117.19 g/mol
Exact mass: 117.1154 Da
Density: 0.8921 g/mL (at 20 °C)
Melting point: −70 °C
Boiling point: 163 °C
pKa: 9.87 (conjugate acid, 20 °C)
Flash point: 51.7 °C (closed cup)
Water solubility: miscible
logP: 0.32Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H332 Harmful if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

100-37-8

SMILES

CCN(CC)CCO

InChIKey

BFSVOASYOCHEOV-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

25 names · show all

Ethanol, 2-(diethylamino)-
2-(Diethylamino)ethanol
(Diethylamino)ethanol
2-Hydroxytriethylamine
N,N-Diethylethanolamine
Diethyl(β-hydroxyethyl)amine
DEAE
β-(Diethylamino)ethanol
2-(N,N-Diethylamino)ethanol
N,N-Diethyl-2-aminoethanol
2-(Diethylamino)ethyl alcohol
Pennad 150
N,N-Diethyl(2-hydroxyethyl)amine
N,N-Diethylmonoethanolamine
(2-Hydroxyethyl)diethylamine
Diethylmonoethanolamine
N-(2-Hydroxyethyl)diethylamine
MKS
DEEA
NSC 8759
A 22
A 22 (Amine)
2-(N,N-Diethyl)ethanolamine
Diethyl(2-hydroxyethyl)amine
Amino alcohol 2A

Work with Diethylethanolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(Diethylamino)ethanol hydrochloride14426-20-1Salt

Similar compounds

N-Ethyldiethanolamine139-87-788 % similar 3-(Diethylamino)-1-propanol622-93-570 % similar Triethanolamine102-71-659 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-659 % similar Diethylaminoethoxyethanol140-82-958 % similar 1-Aziridineethanol1072-52-256 % similar 1,4-Piperazinediethanol122-96-356 % similar N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Butylethanolamine111-75-1 (2R)-2-Amino-3,3-dimethylbutan-1-ol112245-09-7 (2S)-2-Amino-3,3-dimethyl-1-butanol112245-13-3 (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-2 3-Isopropoxypropylamine2906-12-9 6-Amino-1-hexanol4048-33-3 2-(tert-Butylamino)ethanol4620-70-6 D-Leucinol53448-09-2

Elsewhere

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