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Molecule
N-Methylhydroxylamine Hydrochloride
CAS: 4229-44-1 · CH6ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4229-44-1
- Molecular Formula
- CH6ClNO
- Molecular Mass
- 83.52 g/mol
Identifiers
CAS Registry Number
4229-44-1
SMILES
CNO.Cl
InChI Key
RGZRSLKIOCHTSI-UHFFFAOYSA-N
InChI
InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H
Names and Synonyms
- N-Methylhydroxylamine Hydrochloride Common Name
- Methanamine, N-hydroxy-, hydrochloride (1:1) Synonym
- Hydroxylamine, N-methyl-, hydrochloride Synonym
- Methanamine, N-hydroxy-, hydrochloride Synonym
- N-Methylhydroxylamine hydrochloride Synonym
- N-Methylhydroxylammonium chloride Synonym
- Methylhydroxylammonium chloride Synonym
- Methylhydroxylamine hydrochloride Synonym
- N-Hydroxymethanamine hydrochloride Synonym
- N-Hydroxy-N-methanamine hydrochloride Synonym
- N-Hydroxy-N-methylammonium chloride Synonym
- N-Hydroxymethylamine hydrochloride Synonym
- N-Methylhydroxylamine monohydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 83.52 g/mol | CAS Common Chemistry |
| 83.518 g/mol | RDKit | |
| 83.515 g/mol | chempirical lib | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.36 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.ONC | CAS Common Chemistry |
| InChI | InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RGZRSLKIOCHTSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84.5-86.0 °C | CAS Common Chemistry |
| Name | N-Methylhydroxylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.016800000000000093 | RDKit |
| 0.0168 | RDKit | |
| Molar Refractivity | 18.0942 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...
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200 ppm
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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; density = 1.360 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH6ClNO.
