Aminoethylethanolamine

C₄H₁₂N₂OCAS 111-41-1104.15 g/mol

Open in Covalent MOL file

Alcohol Primary amine Secondary amine

Properties

Molecular formula: C₄H₁₂N₂O
Molar mass: 104.15 g/mol
Exact mass: 104.0950 Da
Density: 1.0254 g/mL (at 25 °C)
Melting point: −38 °C
Boiling point: 40–238 °C
pKa: 7.21
Flash point: 132 °C (closed cup)
Water solubility: ≥ 100 g/L (21.1 °C)
logP: -1.47Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H360Df May damage the unborn child; Suspected of damaging fertilityReproductive toxicity

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

Precautionary statements

P203, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

111-41-1

SMILES

NCCNCCO

InChIKey

LHIJANUOQQMGNT-UHFFFAOYSA-N

InChI

InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

24 names · show all

Ethanol, 2-[(2-aminoethyl)amino]-
2-[(2-Aminoethyl)amino]ethanol
N-Hydroxyethyl-1,2-ethanediamine
N-(β-Hydroxyethyl)ethylenediamine
N-(Hydroxyethyl)ethylenediamine
(β-Hydroxyethyl)ethylenediamine
N-(2-Aminoethyl)ethanolamine
N-(β-Aminoethyl)ethanolamine
N-(2-Hydroxyethyl)ethylenediamine
(2-Hydroxyethyl)ethylenediamine
N-(2-Hydroxyethyl)-1,2-ethanediamine
1-(2-Hydroxyethylamino)-2-aminoethane
2-(2-Hydroxyethylamino)ethylamine
N-(2′-Hydroxyethyl)ethylenediamine
2-(2′-Aminoethylamino)ethanol
N-(β-Hydroxyethyl)-1,2-ethanediamine
N-(2-Hydroxyethyl)-1,2-ethylenediamine
A-EA
NSC 461
Amino alcohol EA
1-Aminooxyethylamine
N-(2-Hydroxyethyl)-1,2-diaminoethane
2-[(Aminoethyl)amino]ethanol
2-(2-Aminoethylamino)-1-ethanol

Work with Aminoethylethanolamine

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

Similar compounds

N-(2-Hydroxyethyl)-1,3-propanediamine4461-39-671 % similar Diethylenetriamine111-40-065 % similar Diethanolamine111-42-265 % similar Triethylenetetramine112-24-361 % similar Tetraethylenepentamine112-57-261 % similar Pentaethylenehexamine4067-16-761 % similar 2,2′-(1,2-Ethanediyldiimino)bis[ethanol]4439-20-761 % similar Diethanolamine hydrochloride14426-21-255 % similar

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

Same formula

2-Aminoethyl ether2752-17-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia