Back to Search
Molecule
N,N-Diisopropylaminoethanol
CAS: 96-80-0 · C8H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 96-80-0
- Molecular Formula
- C8H19NO
- Molecular Mass
- 145.25 g/mol
Identifiers
CAS Registry Number
96-80-0
SMILES
CC(C)N(CCO)C(C)C
InChI Key
ZYWUVGFIXPNBDL-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
Names and Synonyms
- N,N-Diisopropylaminoethanol Systematic Name
- Ethanol, 2-[bis(1-methylethyl)amino]- Synonym
- Ethanol, 2-(diisopropylamino)- Synonym
- 2-[Bis(1-methylethyl)amino]ethanol Synonym
- Diisopropylethanolamine Synonym
- 2-(Diisopropylamino)ethanol Synonym
- (Diisopropylamino)ethanol Synonym
- (N,N-Diisopropylamino)ethanol Synonym
- 2-(Diisopropylamino)ethyl alcohol Synonym
- N,N-Diisopropylethanolamine Synonym
- N,N-Diisopropyl-2-aminoethanol Synonym
- NSC 45475 Synonym
- 2-(N,N-Diisopropylamino)ethanol Synonym
- DIPAE Synonym
- Monoethanoldiisopropylamine Synonym
- 2-[Bis(propan-2-yl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.25 g/mol | CAS Common Chemistry |
| 145.24599999999998 g/mol | RDKit | |
| 145.246 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-Diisopropylaminoethanol | CAS Common Chemistry |
| Boiling Point | 190 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZYWUVGFIXPNBDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -39 °C | CAS Common Chemistry |
| Name | 2-(Diisopropylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 1.0975 | RDKit |
| Molar Refractivity | 44.063800000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.146664228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 145.25 g/mol. Edit any field — others recompute live.
