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Molecule
O-Ethylhydroxylamine Hydrochloride
CAS: 3332-29-4 · C2H8ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3332-29-4
- Molecular Formula
- C2H8ClNO
- Molecular Mass
- 97.55 g/mol
Identifiers
CAS Registry Number
3332-29-4
SMILES
CCON.Cl
InChI Key
NUXCOKIYARRTDC-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
Names and Synonyms
- O-Ethylhydroxylamine Hydrochloride Common Name
- Hydroxylamine, O-ethyl-, hydrochloride (1:1) Synonym
- Hydroxylamine, O-ethyl-, hydrochloride Synonym
- Ethoxyamine, hydrochloride Synonym
- O-Ethylhydroxylamine hydrochloride Synonym
- Ethoxamine hydrochloride Synonym
- Ethoxyammonium chloride Synonym
- N-Ethoxyamine hydrochloride Synonym
- Ethoxylamine hydrochloride Synonym
- (Aminooxy)ethane hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.55 g/mol | CAS Common Chemistry |
| 97.545 g/mol | RDKit | |
| 97.542 g/mol | chempirical lib | |
| 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 |
| 0.3184 | RDKit | |
| Molar Refractivity | 23.0614 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 97.029441556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 97.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H8ClNO.
