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O-Ethylhydroxylamine Hydrochloride
CAS: 3332-29-4 | C2H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3332-29-4
Molecular Formula:
C2H8ClNO
Molecular Weight:
97.545 g/mol
Names and Synonyms:
O-Ethylhydroxylamine Hydrochloride
(Aminooxy)ethane hydrochloride
Ethoxylamine hydrochloride
N-Ethoxyamine hydrochloride
Ethoxyammonium chloride
Ethoxamine hydrochloride
O-Ethylhydroxylamine hydrochloride
Ethoxyamine, hydrochloride
Hydroxylamine, O-ethyl-, hydrochloride
Hydroxylamine, O-ethyl-, hydrochloride (1:1)
Identifiers:
SMILES:
CCON.Cl
InChI:
InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 97.55 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O(N)CC None | Legacy Database |
| cas-inchi | InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=NUXCOKIYARRTDC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 126 °C None | Legacy Database |
| cas-name | O-Ethylhydroxylamine hydrochloride None | Legacy Database |
| LogP | 0.3184000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 97.545 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 97.029441556 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.0614 | RDKit |
