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N-Methylhydroxylamine Hydrochloride
CAS: 4229-44-1 | CH6ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4229-44-1
Molecular Formula:
CH6ClNO
Molecular Weight:
83.518 g/mol
Names and Synonyms:
N-Methylhydroxylamine Hydrochloride
Common Name
N-Methylhydroxylamine monohydrochloride
Synonym
N-Hydroxymethylamine hydrochloride
Synonym
N-Hydroxy-N-methylammonium chloride
Synonym
N-Hydroxy-N-methanamine hydrochloride
Synonym
N-Hydroxymethanamine hydrochloride
Synonym
Methylhydroxylamine hydrochloride
Synonym
Methylhydroxylammonium chloride
Synonym
N-Methylhydroxylammonium chloride
Synonym
N-Methylhydroxylamine hydrochloride
Synonym
Methanamine, N-hydroxy-, hydrochloride
Synonym
Hydroxylamine, N-methyl-, hydrochloride
Synonym
Methanamine, N-hydroxy-, hydrochloride (1:1)
Synonym
Identifiers:
SMILES:
CNO.Cl
InChI:
InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 83.518 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 | 2 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 | 32.26 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.016800000000000093 | RDKit |
| molecular_mass | 83.52 g/mol | Legacy Database |
| density | 1.36 g/cm³ | Legacy Database |
| cas-canonical-smile | Cl.ONC None | Legacy Database |
| cas-density | 1.36 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=RGZRSLKIOCHTSI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 84.5-86.0 °C None | Legacy Database |
| cas-name | N-Methylhydroxylamine hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.0942 | RDKit |