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Molecule
Diethylamine
CAS: 109-89-7 · C4H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 109-89-7
- Molecular Formula
- C4H11N
- Molecular Mass
- 73.14 g/mol
Identifiers
CAS Registry Number
109-89-7
SMILES
CCNCC
InChI Key
HPNMFZURTQLUMO-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
Names and Synonyms
- Diethylamine Synonym
- Ethanamine, N-ethyl- Synonym
- Diethylamine Synonym
- N-Ethylethanamine Synonym
- N,N-Diethylamine Synonym
- DEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.139 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.7074 g/cm3 @ 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 |
| 0.6158 | RDKit | |
| Molar Refractivity | 24.217699999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 73.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 73.14 g/mol; density = 0.710 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11N.
