chempirical

Diethanolamine hydrochloride

C4H12ClNO2CAS 14426-21-2141.60 g/mol

Open in Covalent MOL file
HClHONHOH
AlcoholSecondary amine

Properties

Molecular formula
C4H12ClNO2
Molar mass
141.60 g/mol
Exact mass
141.0557 Da
Density
1.24 g/mL
Melting point
−26 °C
logP
-1.02Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
14426-21-2
SMILES
Cl.OCCNCCO
InChIKey
VJLOFJZWUDZJBX-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO2.ClH/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H

Weigh it out

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

Names and synonyms

6 names
  • Ethanol, 2,2′-iminobis-, hydrochloride (1:1)
  • Ethanol, 2,2′-iminodi-, hydrochloride
  • Ethanol, 2,2′-iminobis-, hydrochloride
  • Diethanolamine hydrochloric acid salt
  • Diethanolammonium chloride
  • Di(β-hydroxyethyl)amine hydrochloride

Work with Diethanolamine hydrochloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethanolamine111-42-279 % similar 2,2′-(1,2-Ethanediyldiimino)bis[ethanol]4439-20-773 % similar Aminoethylethanolamine111-41-155 % similar 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)10045-25-753 % similar Piperazine hydrochloride142-64-353 % similar 2-(Ethylamino)ethanol110-73-650 % similar Butylethanolamine111-75-150 % similar N-(2-Hydroxyethyl)-1,3-propanediamine4461-39-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook