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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 Mass:
89.14 g/mol
Names and Synonyms:
Diethylhydroxylamine
Ethanamine, N-ethyl-N-hydroxy-
N-Ethyl-N-hydroxyethanamine
N,N-Diethylhydroxylamine
N-Hydroxydiethylamine
Diethylhydroxylamine
DEHA
Identifiers:
SMILES:
CCN(O)CC
InChI:
InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
Key Properties
Boiling Point
133 °C
CAS Common Chemistry
Melting Point
10 °C
CAS Common Chemistry
Density
0.86 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 | 89.14 g/mol | CAS Common Chemistry |
| 89.138 g/mol | RDKit | |
| 89.084063972 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8612 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylhydroxylamine | CAS Common Chemistry |
| Boiling Point | 133 °C | CAS Common Chemistry |
| Canonical SMILES | ON(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FVCOIAYSJZGECG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | Diethylhydroxylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 0.7174 | RDKit |
| Molar Refractivity | 24.707499999999992 | RDKit |
