Back to Search
N,N-Diisopropylethylamine
CAS: 7087-68-5 | C8H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7087-68-5
Molecular Formula:
C8H19N
Molecular Weight:
129.24699999999999 g/mol
Names and Synonyms:
N,N-Diisopropylethylamine
Huenig's base
1,1′-Dimethyltriethylamine
Diisopropylethylamine
N,N-Diisopropylethylamine
N-Ethyl-N,N-diisopropylamine
Ethyldiisopropylamine
N-Ethyldiisopropylamine
N-Ethyl-N-(1-methylethyl)-2-propanamine
Triethylamine, 1,1′-dimethyl-
Ethylbis(propan-2-yl)amine
N-Ethyl-N-propan-2-ylpropan-2-amine
DIPEA
N-Ethyl-N-isopropylpropan-2-amine
N,N-Bis(1-methylethyl)-N-ethylamine
Ethyl-N,N-diisopropylamine
NSC 147491
Bis(1-methylethyl)ethylamine
Hunig's reagent
2-Propanamine, N-ethyl-N-(1-methylethyl)-
Hunig's base
DIEA
Identifiers:
SMILES:
CCN(C(C)C)C(C)C
InChI:
InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.25 g/mol | Legacy Database |
| LogP | 2.1250999999999998 | RDKit |
| wikipedia_url | https://en.wikipedia.org/wiki/N,N-Diisopropylethylamine None | Legacy Database |
| cas-boiling-point | 126.5 °C None | Legacy Database |
| cas-canonical-smile | N(CC)(C(C)C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JGFZNNIVVJXRND-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 126-128 °C None | Legacy Database |
| cas-name | Diisopropylethylamine None | Legacy Database |
| wikipedia-name | N,N-Diisopropylethylamine None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.24699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.151749608 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.652000000000015 | RDKit |
