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Molecule
Diethylhydroxylamine
CAS: 3710-84-7 · C4H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3710-84-7
- Molecular Formula
- C4H11NO
- Molecular Mass
- 89.14 g/mol
Identifiers
CAS Registry Number
3710-84-7
SMILES
CCN(O)CC
InChI Key
FVCOIAYSJZGECG-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
Names and Synonyms
- Diethylhydroxylamine Common Name
- Ethanamine, N-ethyl-N-hydroxy- Synonym
- N-Ethyl-N-hydroxyethanamine Synonym
- N,N-Diethylhydroxylamine Synonym
- N-Hydroxydiethylamine Synonym
- Diethylhydroxylamine Synonym
- DEHA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.138 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8612 g/cm3 @ 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 0.7174 | RDKit |
| Molar Refractivity | 24.707499999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 89.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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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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MW = 89.14 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO.
