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Molecule
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
Identifiers
CAS Registry Number
5370-01-4
SMILES
Cc1cccc(C)c1OCC(C)N.Cl
InChI Key
NFEIBWMZVIVJLQ-UHFFFAOYSA-N
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
Names and Synonyms
- Mexiletine Hydrochloride Synonym
- 2-Propanamine, 1-(2,6-dimethylphenoxy)-, hydrochloride (1:1) Synonym
- Ethylamine, 1-methyl-2-(2,6-xylyloxy)-, hydrochloride Synonym
- 2-Propanamine, 1-(2,6-dimethylphenoxy)-, hydrochloride Synonym
- Mexiletine hydrochloride Synonym
- Ko 1173 Synonym
- Mexitil Synonym
- Mexilitene Synonym
- Ko 1173Cl Synonym
- Katen Synonym
- Ritalmex Synonym
- (±)-Mexiletine hydrochloride Synonym
- 1-(2,6-Dimethylphenoxy)-propan-2-amine hydrochloride Synonym
- 2-(2-Aminopropoxy)-1,3-dimethylbenzene hydrochloride Synonym
- Namuscla Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.72 g/mol | CAS Common Chemistry |
| 215.724 g/mol | RDKit | |
| 215.721 g/mol | chempirical lib | |
| 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 |
| 2.4512 | RDKit | |
| Molar Refractivity | 62.308400000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 215.107691876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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 = 215.72 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H18ClNO.
