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Molecule
O-Methylhydroxylamine Hydrochloride
CAS: 593-56-6 · CH6ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 593-56-6
- Molecular Formula
- CH6ClNO
- Molecular Mass
- 83.52 g/mol
Identifiers
CAS Registry Number
593-56-6
SMILES
CON.Cl
InChI Key
XNXVOSBNFZWHBV-UHFFFAOYSA-N
InChI
InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 83.52 g/mol | CAS Common Chemistry |
| 83.51799999999999 g/mol | RDKit | |
| 83.518 g/mol | RDKit | |
| 83.515 g/mol | chempirical lib | |
| 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 |
| -0.0717 | RDKit | |
| Molar Refractivity | 18.4444 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 83.013791492 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
External Resources
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MW = 83.52 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH6ClNO.
