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Triisopropanolamine
CAS: 122-20-3 | C9H21NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-20-3
Molecular Formula:
C9H21NO3
Molecular Mass:
191.27 g/mol
Names and Synonyms:
Triisopropanolamine
2-Propanol, 1,1′,1′′-nitrilotris-
2-Propanol, 1,1′,1′′-nitrilotri-
1,1′,1′′-Nitrilotris[2-propanol]
Triisopropanolamine
Tri-iso-propanolamine
Tris(2-hydroxypropyl)amine
Tris(2-hydroxy-1-propyl)amine
1,1′,1′′-Nitrilotri-2-propanol
Tris(2-propanol)amine
Tri-2-propanolamine
TIPA
NTP
NSC 4010
CBA (aminoalcohol)
CBA
1-[Bis(2-hydroxypropyl)amino]propan-2-ol
Identifiers:
SMILES:
CC(O)CN(CC(C)O)CC(C)O
InChI:
InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
Key Properties
Boiling Point
306 °C
CAS Common Chemistry
Melting Point
45 °C
CAS Common Chemistry
Density
1.00 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.27 g/mol | CAS Common Chemistry |
| 191.271 g/mol | RDKit | |
| 191.152143532 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.0 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triisopropanolamine | CAS Common Chemistry |
| Boiling Point | 306 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CN(CC(O)C)CC(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SLINHMUFWFWBMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Triisopropanolamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.93000000000001 Ų | RDKit |
| LogP | -0.5691999999999999 | RDKit |
| Molar Refractivity | 51.482400000000034 | RDKit |
