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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 Weight:
145.24599999999998 g/mol
Names and Synonyms:
N,N-Diisopropylaminoethanol
2-[Bis(propan-2-yl)amino]ethan-1-ol
Monoethanoldiisopropylamine
DIPAE
2-(N,N-Diisopropylamino)ethanol
NSC 45475
N,N-Diisopropyl-2-aminoethanol
N,N-Diisopropylethanolamine
2-(Diisopropylamino)ethyl alcohol
(N,N-Diisopropylamino)ethanol
(Diisopropylamino)ethanol
2-(Diisopropylamino)ethanol
Diisopropylethanolamine
2-[Bis(1-methylethyl)amino]ethanol
Ethanol, 2-(diisopropylamino)-
Ethanol, 2-[bis(1-methylethyl)amino]-
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.24599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.146664228 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0975 | RDKit |
| molecular_mass | 145.25 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N,N-Diisopropylaminoethanol None | Legacy Database |
| cas-boiling-point | 190 °C None | Legacy Database |
| cas-canonical-smile | OCCN(C(C)C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZYWUVGFIXPNBDL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -39 °C None | Legacy Database |
| cas-name | 2-(Diisopropylamino)ethanol None | Legacy Database |
| wikipedia-name | N,N-Diisopropylaminoethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.063800000000015 | RDKit |
