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Diethylamine
CAS: 109-89-7 | C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-89-7
Molecular Formula:
C4H11N
Molecular Mass:
73.14 g/mol
Names and Synonyms:
Diethylamine
Ethanamine, N-ethyl-
Diethylamine
N-Ethylethanamine
N,N-Diethylamine
DEA
Identifiers:
SMILES:
CCNCC
InChI:
InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
Key Properties
Boiling Point
55.5 °C
CAS Common Chemistry
Melting Point
-50 °C
CAS Common Chemistry
Density
0.71 g/cm³
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 | 73.14 g/mol | CAS Common Chemistry |
| 73.139 g/mol | RDKit | |
| 73.08914935199999 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.7074 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylamine | CAS Common Chemistry |
| Boiling Point | 55.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HPNMFZURTQLUMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | Diethylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.6157999999999999 | RDKit |
| Molar Refractivity | 24.217699999999994 | RDKit |
