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Mexiletine Hydrochloride
CAS: 5370-01-4 | C11H18ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5370-01-4
Molecular Formula:
C11H18ClNO
Molecular Mass:
215.72 g/mol
Names and Synonyms:
Mexiletine Hydrochloride
2-Propanamine, 1-(2,6-dimethylphenoxy)-, hydrochloride (1:1)
Ethylamine, 1-methyl-2-(2,6-xylyloxy)-, hydrochloride
2-Propanamine, 1-(2,6-dimethylphenoxy)-, hydrochloride
Mexiletine hydrochloride
Ko 1173
Mexitil
Mexilitene
Ko 1173Cl
Katen
Ritalmex
(±)-Mexiletine hydrochloride
1-(2,6-Dimethylphenoxy)-propan-2-amine hydrochloride
2-(2-Aminopropoxy)-1,3-dimethylbenzene hydrochloride
Namuscla
Identifiers:
SMILES:
Cc1cccc(C)c1OCC(C)N.Cl
InChI:
InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
Key Properties
Melting Point
203-205 °C
CAS Common Chemistry
Density
1.12 g/cm³
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 | 215.72 g/mol | CAS Common Chemistry |
| 215.724 g/mol | RDKit | |
| 215.107691876 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.12 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.O(C=1C(=CC=CC1C)C)CC(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NFEIBWMZVIVJLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203-205 °C | CAS Common Chemistry |
| Name | Mexiletine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 2.45124 | RDKit |
| Molar Refractivity | 62.308400000000034 | RDKit |
