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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 Mass:
129.25 g/mol
Names and Synonyms:
N,N-Diisopropylethylamine
2-Propanamine, N-ethyl-N-(1-methylethyl)-
Hunig's reagent
Bis(1-methylethyl)ethylamine
NSC 147491
Ethyl-N,N-diisopropylamine
N,N-Bis(1-methylethyl)-N-ethylamine
N-Ethyl-N-isopropylpropan-2-amine
DIPEA
N-Ethyl-N-propan-2-ylpropan-2-amine
Ethylbis(propan-2-yl)amine
Triethylamine, 1,1′-dimethyl-
N-Ethyl-N-(1-methylethyl)-2-propanamine
N-Ethyldiisopropylamine
Ethyldiisopropylamine
N-Ethyl-N,N-diisopropylamine
N,N-Diisopropylethylamine
Diisopropylethylamine
1,1′-Dimethyltriethylamine
Huenig's base
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
Key Properties
Boiling Point
126.5 °C
CAS Common Chemistry
Melting Point
126-128 °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 | 129.25 g/mol | CAS Common Chemistry |
| 129.24699999999999 g/mol | RDKit | |
| 129.151749608 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-Diisopropylethylamine | CAS Common Chemistry |
| Boiling Point | 126.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGFZNNIVVJXRND-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-128 °C | CAS Common Chemistry |
| Name | Diisopropylethylamine | CAS Common Chemistry |
| N,N-Diisopropylethylamine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.1250999999999998 | RDKit |
| Molar Refractivity | 42.652000000000015 | RDKit |
