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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 Mass:
83.52 g/mol
Names and Synonyms:
O-Methylhydroxylamine Hydrochloride
Hydroxylamine, O-methyl-, hydrochloride (1:1)
Hydroxylamine, O-methyl-, hydrochloride
Methoxyamine hydrochloride
Methoxyammonium chloride
Methoxylamine hydrochloride
O-Methylhydroxylamine hydrochloride
O-Methoxyamine hydrochloride
N-Methoxylamine hydrochloride
Hydroxylamine methyl ether hydrochloride
O-Methylhydroxyamine hydrochloride
(Aminooxy)methane hydrochloride
Identifiers:
SMILES:
CON.Cl
InChI:
InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
Key Properties
Melting Point
148-149 °C @ Solvent: Ethyl acetate, Ethanol
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 | 83.52 g/mol | CAS Common Chemistry |
| 83.51799999999999 g/mol | RDKit | |
| 83.013791492 g/mol | RDKit | |
| Canonical SMILES | Cl.O(N)C | CAS Common Chemistry |
| InChI | InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XNXVOSBNFZWHBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-149 °C @ Solvent: Ethyl acetate, Ethanol | CAS Common Chemistry |
| Name | O-Methylhydroxylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | -0.07169999999999993 | RDKit |
| Molar Refractivity | 18.4444 | RDKit |
