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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
Names and Synonyms:
Dimethylamine, Hydrochloride
Methanamine, N-methyl-, hydrochloride (1:1)
Dimethylamine, hydrochloride
Methanamine, N-methyl-, hydrochloride
Dimethylammonium chloride
N-Methylmethanamine hydrochloride
N,N-Dimethylamine hydrochloride
Identifiers:
SMILES:
CNC.Cl
InChI:
InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
Key Properties
Melting Point
171.5 °C
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 | 81.55 g/mol | CAS Common Chemistry |
| 81.546 g/mol | RDKit | |
| 81.03452693599999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 22.231699999999996 | RDKit |
