Diethylamine

C₄H₁₁NCAS 109-89-773.14 g/mol

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Secondary amine

Properties

Molecular formula: C₄H₁₁N
Molar mass: 73.14 g/mol
Exact mass: 73.0891 Da
Density: 0.7074 g/mL (at 20 °C)
Melting point: −50 °C
Boiling point: 55.5 °C
Critical temperature: 223.5 °C (496.6 K)ChemSep
Critical pressure: 37.1 barChemSep
Acentric factor: 0.304ChemSep
Enthalpy of formation (gas): −71.42 kJ/molChemSep
pKa: 11.09 (conjugate acid, 20 °C)
Water solubility: miscible
logP: 0.62Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly 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, index 612-003-00-X), 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

109-89-7

SMILES

CCNCC

InChIKey

HPNMFZURTQLUMO-UHFFFAOYSA-N

InChI

InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.62 (q, J = 7.0 Hz, 4H), 1.20 (br s, 1H), 1.10 (t, J = 7.0 Hz, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 42.0, 15.9.

[M + H]+

[M + H]+ Calcd for C4H12N 74.0964

[M + Na]+

[M + Na]+ Calcd for C4H11NNa 96.0784

[M − H]−

[M − H]− Calcd for C4H10N 72.0819

Elemental analysis

Anal. Calcd for C4H11N: C, 65.69; H, 15.16; N, 19.15.

Weigh it out

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

Names and synonyms

4 names

Ethanamine, N-ethyl-
N-Ethylethanamine
N,N-Diethylamine
DEA

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 109-89-7. Each row opens the sheet with its composition and PDF.

Diethylamine > 95 %Avocado Research Chemicals Ltd. · 2024-02-01

Open in the SDS library

Work with Diethylamine

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.

Etamsylate2624-44-4Salt Diethylamine salicylate4419-92-5Salt Diclofenac diethylamine78213-16-8Salt Diethylamine hydrobromide6274-12-0Salt Diethylammonium chloride660-68-4Salt

Similar compounds

Titanium tetrakis(diethylamine)4419-47-075 % similar N,N'-Diethylethylenediamine111-74-067 % similar N1,N3-Diethyl-1,3-propanediamine10061-68-457 % similar Ethylpropylamine20193-20-853 % similar 1,2-Diethylhydrazine1615-80-150 % similar N-Ethylethylenediamine110-72-547 % similar 2-(Ethylamino)ethanol110-73-647 % similar Ethylbutylamine13360-63-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

n-Butylamine109-73-9 (-)-sec-Butylamine13250-12-9 sec-Butylamine13952-84-6 (±)-sec-Butylamine33966-50-6 Methylisopropylamine4747-21-1 (S)-sec-Butylamine513-49-5 N,N-Dimethylethylamine598-56-1 N-Methylpropylamine627-35-0

Elsewhere

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