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Molecule
N,O-Dimethylhydroxylamine Hydrochloride
CAS: 6638-79-5 · C2H8ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6638-79-5
- Molecular Formula
- C2H8ClNO
- Molecular Mass
- 97.55 g/mol
Identifiers
CAS Registry Number
6638-79-5
SMILES
CNOC.Cl
InChI Key
USZLCYNVCCDPLQ-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO.ClH/c1-3-4-2;/h3H,1-2H3;1H
Names and Synonyms
- N,O-Dimethylhydroxylamine Hydrochloride Synonym
- Methanamine, N-methoxy-, hydrochloride (1:1) Synonym
- Methanamine, N-methoxy-, hydrochloride Synonym
- O,N-Dimethylhydroxylamine hydrochloride Synonym
- N-Methoxymethylamine hydrochloride Synonym
- N,O-Dimethylhydroxylamine hydrochloride Synonym
- N-Methoxymethanamine hydrochloride Synonym
- N-Methoxy-N-methylamine hydrochloride Synonym
- Methoxymethylamine hydrochloride Synonym
- N-Methyl-N-methoxyamine hydrochloride Synonym
- O-Methyl hydroxy(methyl)amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.55 g/mol | CAS Common Chemistry |
| 97.545 g/mol | RDKit | |
| 97.542 g/mol | chempirical lib | |
| 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 |
| 21.26 Ų | RDKit | |
| LogP | 0.18899999999999995 | RDKit |
| 0.189 | RDKit | |
| Molar Refractivity | 23.316699999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 97.029441556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 97.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H8ClNO.
