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Molecule
Dimethylamine, Hydrochloride
CAS: 506-59-2 · C2H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 506-59-2
- Molecular Formula
- C2H8ClN
- Molecular Mass
- 81.55 g/mol
Identifiers
CAS Registry Number
506-59-2
SMILES
CNC.Cl
InChI Key
IQDGSYLLQPDQDV-UHFFFAOYSA-N
InChI
InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
Names and Synonyms
- Dimethylamine, Hydrochloride Synonym
- Methanamine, N-methyl-, hydrochloride (1:1) Synonym
- Dimethylamine, hydrochloride Synonym
- Methanamine, N-methyl-, hydrochloride Synonym
- Dimethylammonium chloride Synonym
- N-Methylmethanamine hydrochloride Synonym
- N,N-Dimethylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 81.55 g/mol | CAS Common Chemistry |
| 81.546 g/mol | RDKit | |
| 81.543 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=IQDGSYLLQPDQDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171.5 °C | CAS Common Chemistry |
| Name | Dimethylamine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.2573999999999999 | RDKit |
| 0.2574 | RDKit | |
| Molar Refractivity | 22.231699999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 81.03452693599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 81.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H8ClN.
