Diethanolamine

C₄H₁₁NO₂CAS 111-42-2105.14 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₄H₁₁NO₂
Molar mass: 105.14 g/mol
Exact mass: 105.0790 Da
Density: 1.0966 g/mL (at 20 °C)
Melting point: 28 °C
Boiling point: 268.8 °C
pKa: 8.96
Water solubility: miscible (20 °C)
logP: -1.44Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

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

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number

111-42-2

SMILES

OCCNCCO

InChIKey

ZBCBWPMODOFKDW-UHFFFAOYSA-N

InChI

InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

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Names and synonyms

30 names · show all

Ethanol, 2,2′-iminobis-
Ethanol, 2,2′-iminodi-
2,2′-Iminobis[ethanol]
2,2′-Dihydroxydiethylamine
Di(2-hydroxyethyl)amine
Bis(2-hydroxyethyl)amine
2,2′-Iminodi-1-ethanol
Iminodiethanol
2,2′-Iminodiethanol
N,N-Diethanolamine
Diolamine
2-[(2-Hydroxyethyl)amino]ethanol
N,N-Bis(2-hydroxyethyl)amine
Bis(hydroxyethyl)amine
Di(β-hydroxyethyl)amine
Niax DEOA-LF
Dabco DEOA-LF
NSC 4959
DEA 80
DEAO-LF
N,N-Di(2-hydroxyethyl)amine
Diethanolamine 80
Tegoamin DEOA 85
DEOA LF
2,2′-Azanediyldiethanol
2,2′-Azanediylbis(ethanol)
D 5230
DEOA
2-[(2-Hydroxyethyl)amino]ethan-1-ol
Tegoamin DEOA

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 111-42-2. Each row opens the sheet with its composition and PDF.

Triethanolamine ≤ 0.5 %Fisher Scientific UK · 2022-03-11

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Work with Diethanolamine

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.

Diethanolamine hydrochloride14426-21-2Salt

Similar compounds

2,2′-(1,2-Ethanediyldiimino)bis[ethanol]4439-20-792 % similar Aminoethylethanolamine111-41-165 % similar 2-(Ethylamino)ethanol110-73-659 % similar Butylethanolamine111-75-158 % similar N-(2-Hydroxyethyl)-1,3-propanediamine4461-39-658 % similar 1-Piperazineethanol103-76-447 % similar 4-Piperidineethanol622-26-447 % similar N-Methylethanolamine109-83-147 % similar

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

Same formula

2-Amino-2-methyl-1,3-propanediol115-69-5 Aminoacetaldehyde dimethyl acetal22483-09-6 Polyethylene glycol 2-aminoethyl ether32130-27-1 L-Threoninol3228-51-1 3-(Methylamino)propane-1,2-diol40137-22-2 (2S,3S)-2-Amino-1,3-butanediol44520-55-0 Rel-(2R,3R)-2-Amino-1,3-butanediol515-93-5 Diglycolamine929-06-6

Elsewhere

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