Products for Research Use Only
RegisterLogin

Diisopropanolamine

CAT: 0127-OR98244Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR98244Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
110-97-4
Synonyms
Bis (2-hydroxypropyl) amine
MDL Number
MFCD00004531
Purity
=95%
Smiles
CC(O)CNCC(C)O

Chemical Information

Diisopropanolamine

Diisopropanolamine is a secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is a versatile chemical used in a variety of personal care, cosmetic and industrial products. It has a role as a surfactant, a buffer and an emulsifier. It is an aminodiol, a secondary alcohol and a secondary amino compound. It is functionally related to a 1-aminopropan-2-ol.

CAS Number110-97-4
PubChem CID8086
IUPAC Name1-(2-hydroxypropylamino)propan-2-ol
Molecular FormulaC6H15NO2
Molecular Weight133.19
XLogP-0.8
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity60
SMILES
CC(CNCC(C)O)O
InChI
InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
InChIKey
LVTYICIALWPMFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisopropanolamine
CAS: 110-97-4
CID: 8086
Formula: C6H15NO2
MW: 133.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.19
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass133.110278721
Monoisotopic Mass133.110278721
Topological Polar Surface Area52.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity60.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
14001-02Diisopropanolamine
D32380Diisopropanolamine 98%
B28510N-Butyl diisopropanolamine
274457-01Diisopropanolamine discontinued. See 447056
D32375-01Diisopropanolamine sum of isomers 98%
24465-01Diisopropanolamine (DIPOA) extrapure AR, 98%

Popular Products