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O-Methylhydroxylamine Hydrochloride
CAS: 593-56-6 | CH6ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-56-6
Molecular Formula:
CH6ClNO
Molecular Weight:
83.51799999999999 g/mol
Names and Synonyms:
O-Methylhydroxylamine Hydrochloride
Synonym
Hydroxylamine, O-methyl-, hydrochloride (1:1)
Synonym
Hydroxylamine, O-methyl-, hydrochloride
Synonym
Methoxyamine hydrochloride
Synonym
Methoxyammonium chloride
Synonym
Methoxylamine hydrochloride
Synonym
O-Methylhydroxylamine hydrochloride
Synonym
O-Methoxyamine hydrochloride
Synonym
N-Methoxylamine hydrochloride
Synonym
Hydroxylamine methyl ether hydrochloride
Synonym
O-Methylhydroxyamine hydrochloride
Synonym
(Aminooxy)methane hydrochloride
Synonym
Identifiers:
SMILES:
CON.Cl
InChI:
InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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80
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 83.52 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O(N)C None | Legacy Database |
| cas-inchi | InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=XNXVOSBNFZWHBV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 148-149 °C @ Solvent: Ethyl acetate, Ethanol None | Legacy Database |
| cas-name | O-Methylhydroxylamine hydrochloride None | Legacy Database |
| LogP | -0.07169999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 83.51799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 83.013791492 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 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 | 18.4444 | RDKit |