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Diethylhydroxylamine
CAS: 3710-84-7 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3710-84-7
Molecular Formula:
C4H11NO
Molecular Weight:
89.138 g/mol
Names and Synonyms:
Diethylhydroxylamine
Common Name
DEHA
Synonym
Diethylhydroxylamine
Synonym
N-Hydroxydiethylamine
Synonym
N,N-Diethylhydroxylamine
Synonym
N-Ethyl-N-hydroxyethanamine
Synonym
Ethanamine, N-ethyl-N-hydroxy-
Synonym
Identifiers:
SMILES:
CCN(O)CC
InChI:
InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
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 |
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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 | 89.14 g/mol | Legacy Database |
| density | 0.86 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diethylhydroxylamine None | Legacy Database |
| cas-boiling-point | 133 °C None | Legacy Database |
| cas-canonical-smile | ON(CC)CC None | Legacy Database |
| cas-density | 0.8612 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FVCOIAYSJZGECG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 10 °C None | Legacy Database |
| cas-name | Diethylhydroxylamine None | Legacy Database |
| wikipedia-name | Diethylhydroxylamine None | Legacy Database |
| LogP | 0.7174 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.138 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.707499999999992 | RDKit |