chempirical

Diethanolisopropanolamine

C7H17NO3CAS 6712-98-7163.22 g/mol

Open in Covalent MOL file
OHNHOOH
AlcoholTertiary amine

Properties

Molecular formula
C7H17NO3
Molar mass
163.22 g/mol
Exact mass
163.1208 Da
Density
1.079 g/mL (at 25 °C)
Melting point
30.6 °C
Boiling point
145 °C (at 0.6 Torr)
logP
-1.35Crippen estimate
Polar surface area
63.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
6712-98-7
SMILES
CC(O)CN(CCO)CCO
InChIKey
ZFECCYLNALETDE-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO3/c1-7(11)6-8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-
  • 1-[Bis(2-hydroxyethyl)amino]-2-propanol
  • Ethanol, 2,2′-[(2-hydroxypropyl)imino]bis-
  • N,N-Bis(2-hydroxyethyl)-2-propanolamine
  • N-(2-Hydroxypropyl)diethanolamine
  • NSC 30493
  • 1-[N,N-Bis(2-hydroxyethyl)amino]-2-propanol
  • Diethanol monoisopropanolamine
  • Dihydroxyethyl-monoisopropanolamine
  • 2,2′-((2-Hydroxypropyl)azanediyl)diethanol

Work with Diethanolisopropanolamine

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

1,1′,1′′,1′′′-[[(2-Hydroxypropyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis[2-propanol]17121-34-570 % similar Tetrakis(2-hydroxypropyl)ethylenediamine102-60-365 % similar Triisopropanolamine122-20-364 % similar N-(2-Hydroxypropyl)morpholine2109-66-259 % similar 1-(Diethylamino)-2-propanol4402-32-854 % similar 1,3-Butanediol107-88-048 % similar (+)-1,3-Butanediol24621-61-248 % similar (-)-1,3-Butanediol6290-03-548 % similar

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

Same formula

2-[2-(2-Methoxyethoxy)ethoxy]ethanamine74654-07-2

Elsewhere

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