Diisopropanolamine

C₆H₁₅NO₂CAS 110-97-4133.19 g/mol

Open in Covalent MOL file

Alcohol Secondary 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)
pKa: 9.1
Flash point: 126.1 °C (open cup)
Water solubility: 870 g/L (20 °C)
logP: -0.66Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

Hazards

Warning

H319 Causes serious eye irritationSerious eye damage/eye irritation

Harmonised EU classification (CLP Annex VI, index 603-083-00-7), via PubChem.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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 (2R,5R)-2,5-Hexanediol17299-07-950 % similar 2,5-Hexanediol2935-44-650 % similar (2S,5S)-(+)-Hexanediol34338-96-050 % similar (2R,4R)-(-)-Pentanediol42075-32-150 % similar 2,4-Pentanediol625-69-450 % similar (2S,4S)-(+)-Pentanediol72345-23-450 % similar (-)-2-Butanol14898-79-445 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia