Basic information
- Name:
2-Propanamine,1-(2,6-dimethylphenoxy)-, hydrochloride (1:1)
- Superlist Name:
- Mexiletine hydrochloride
- CAS No.:
5370-01-4
- Molecular Structure:
- Formula:
- C11H17NO.HCl
- Molecular Weight:
- 215.72
- Synonyms:
- 2-Propanamine,1-(2,6-dimethylphenoxy)-, hydrochloride (9CI);Ethylamine, 1-methyl-2-(2,6-xylyloxy)-,hydrochloride (7CI,8CI);Katen;Ko 1173;Ko 1173Cl;Mexiletinehydrochloride;Mexilitene;Mexitil;Ritalmex;
- EINECS:
- 226-362-1
- Melting Point:
- 200-203 °C
- Boiling Point:
- 271.5 °C at 760 mmHg
- Flash Point:
- 112.2 °C
- Solubility:
- 50 mg/mL in ethanol
- Appearance:
- white to off-white solid
- Hazard Symbols:
Xn- Risk Codes:
- 20/21/22-36/37/38-22
- Safety Description:
- 36-26 Details
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Specification
The IUPAC name of this chemical is 1-(2,6-dimethylphenoxy)propan-2-amine hydrochloride. With the CAS registry number 5370-01-4 and EINECS 226-362-1, it is also named as 1-Methyl-2-(2,6-xylyloxy)ethylamine hydrochloride. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Intermediates & Fine Chemicals; Pharmaceuticals; Amine Salts; Nitrogen Compounds; Organic Building Blocks. It is white to off-white solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.63; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 22.47; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Enthalpy of Vaporization: 50.97 kJ/mol; (14)Vapour Pressure: 0.00642 mmHg at 25°C; (15)Rotatable Bond Count: 3; (16)Exact Mass: 215.107692; (17)MonoIsotopic Mass: 215.107692; (18)Topological Polar Surface Area: 35.2; (19)Heavy Atom Count: 14.
Uses of Mexiletine hydrochloride: It is a kind of Antiarrhythmic agent pharmacologically similar to Lidocaine. It may have some anticonvulsant properties.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O(c1c(cccc1C)C)CC(N)C
2. InChI:InChI=1/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
3. InChIKey:NFEIBWMZVIVJLQ-UHFFFAOYAV
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 19mg/kg (19mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985. | |
| dog | LD50 | oral | 356mg/kg (356mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985. | |
| mouse | LD50 | intramuscular | 128mg/kg (128mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| mouse | LD50 | intraperitoneal | 114mg/kg (114mg/kg) | United States Patent Document. Vol. #4731383, | |
| mouse | LD50 | intravenous | 21mg/kg (21mg/kg) | Bratislavske Lekarske Listy. Vol. 85, Pg. 152, 1986. | |
| mouse | LD50 | oral | 272mg/kg (272mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1398, 1988. |
| mouse | LD50 | subcutaneous | 235mg/kg (235mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA MUSCULOSKELETAL: OTHER CHANGES | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| rabbit | LD50 | oral | 160mg/kg (160mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| rat | LD50 | intramuscular | 190mg/kg (190mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| rat | LD50 | intravenous | 27mg/kg (27mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| rat | LD50 | oral | 330mg/kg (330mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| rat | LD50 | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR MUSCULOSKELETAL: OTHER CHANGES | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 13, Pg. 922, 1982. |
| women | TDLo | oral | 360mg/kg (360mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Toxicology, Clinical Toxicology. Vol. 32, Pg. 731, 1994. |