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N,O-Dimethylhydroxylamine Hydrochloride
CAS: 6638-79-5 | C2H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6638-79-5
Molecular Formula:
C2H8ClNO
Molecular Mass:
97.55 g/mol
Names and Synonyms:
N,O-Dimethylhydroxylamine Hydrochloride
Methanamine, N-methoxy-, hydrochloride (1:1)
Methanamine, N-methoxy-, hydrochloride
O,N-Dimethylhydroxylamine hydrochloride
N-Methoxymethylamine hydrochloride
N,O-Dimethylhydroxylamine hydrochloride
N-Methoxymethanamine hydrochloride
N-Methoxy-N-methylamine hydrochloride
Methoxymethylamine hydrochloride
N-Methyl-N-methoxyamine hydrochloride
O-Methyl hydroxy(methyl)amine hydrochloride
Identifiers:
SMILES:
CNOC.Cl
InChI:
InChI=1S/C2H7NO.ClH/c1-3-4-2;/h3H,1-2H3;1H
Key Properties
Melting Point
111-115 °C @ Solvent: Isopropanol
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 | 97.55 g/mol | CAS Common Chemistry |
| 97.545 g/mol | RDKit | |
| 97.029441556 g/mol | RDKit | |
| Canonical SMILES | Cl.O(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7NO.ClH/c1-3-4-2;/h3H,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=USZLCYNVCCDPLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-115 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | N,O-Dimethylhydroxylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 0.18899999999999995 | RDKit |
| Molar Refractivity | 23.316699999999994 | RDKit |
