chempirical

Diisopropanolamine

C6H15NO2CAS 110-97-4133.19 g/mol

Open in Covalent MOL file
HONHOH
AlcoholSecondary amine

Properties

Molecular formula
C6H15NO2
Molar mass
133.19 g/mol
Exact mass
133.1103 Da
Density
0.989 g/mL (at 20 °C)
Melting point
44.5–45.5 °C
Boiling point
249–250 °C (at 745 Torr)
logP
-0.66Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
110-97-4
SMILES
CC(O)CNCC(C)O
InChIKey
LVTYICIALWPMFW-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Propanol, 1,1′-iminobis-
  • 2-Propanol, 1,1′-iminodi-
  • 1,1′-Iminobis[2-propanol]
  • 1,1′-Iminodi-2-propanol
  • Bis(2-hydroxypropyl)amine
  • Bis(2-propanol)amine
  • DIPA
  • N,N-Bis(2-hydroxypropyl)amine
  • DIPA (alcohol)
  • Di-2-propanolamine
  • NSC 4963
  • N,N-Diisopropanolamine
  • 1-[(2-Hydroxypropyl)amino]propan-2-ol
  • 1-(2-Hydroxypropylamino)propan-2-ol

Work with Diisopropanolamine

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

N-(2-Hydroxypropyl)ethylenediamine123-84-261 % similar 2,5-Hexanediol2935-44-650 % similar 2,4-Pentanediol625-69-450 % similar (-)-2-Butanol14898-79-445 % similar (±)-2-Butanol15892-23-645 % similar (+)-2-Butanol4221-99-245 % similar R-(-)-1,2-Propanediol4254-14-245 % similar (+)-1,2-Propanediol4254-15-345 % similar

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

Same formula

Tetramethylammonium acetate10581-12-1 Bis(2-methoxyethyl)amine111-95-5 N-Ethyldiethanolamine139-87-7 2-[2-(Dimethylamino)ethoxy]ethanol1704-62-7 Dimethylacetamide dimethyl acetal18871-66-4 4,4-Dimethoxy-1-butanamine19060-15-2 2,2-Dimethoxy-N,N-dimethylethanamine38711-20-5 Aminoacetaldehyde diethylacetal645-36-3

Elsewhere

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