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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 Mass:
97.55 g/mol
Names and Synonyms:
O-Ethylhydroxylamine Hydrochloride
Hydroxylamine, O-ethyl-, hydrochloride (1:1)
Hydroxylamine, O-ethyl-, hydrochloride
Ethoxyamine, hydrochloride
O-Ethylhydroxylamine hydrochloride
Ethoxamine hydrochloride
Ethoxyammonium chloride
N-Ethoxyamine hydrochloride
Ethoxylamine hydrochloride
(Aminooxy)ethane hydrochloride
Identifiers:
SMILES:
CCON.Cl
InChI:
InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
Key Properties
Melting Point
126 °C
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 | 97.55 g/mol | CAS Common Chemistry |
| 97.545 g/mol | RDKit | |
| 97.029441556 g/mol | RDKit | |
| Canonical SMILES | Cl.O(N)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NUXCOKIYARRTDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126 °C | CAS Common Chemistry |
| Name | O-Ethylhydroxylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 0.3184000000000002 | RDKit |
| Molar Refractivity | 23.0614 | RDKit |
