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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
Names and Synonyms:
N,N-Diisopropylaminoethanol
Ethanol, 2-[bis(1-methylethyl)amino]-
Ethanol, 2-(diisopropylamino)-
2-[Bis(1-methylethyl)amino]ethanol
Diisopropylethanolamine
2-(Diisopropylamino)ethanol
(Diisopropylamino)ethanol
(N,N-Diisopropylamino)ethanol
2-(Diisopropylamino)ethyl alcohol
N,N-Diisopropylethanolamine
N,N-Diisopropyl-2-aminoethanol
NSC 45475
2-(N,N-Diisopropylamino)ethanol
DIPAE
Monoethanoldiisopropylamine
2-[Bis(propan-2-yl)amino]ethan-1-ol
Identifiers:
SMILES:
CC(C)N(CCO)C(C)C
InChI:
InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
Key Properties
Boiling Point
190 °C
CAS Common Chemistry
Melting Point
-39 °C
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 | 145.25 g/mol | CAS Common Chemistry |
| 145.24599999999998 g/mol | RDKit | |
| 145.146664228 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 |
| N,N-Diisopropylaminoethanol | 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 |
| LogP | 1.0975 | RDKit |
| Molar Refractivity | 44.063800000000015 | RDKit |
