1-(2,6-dimethylphenoxy)propan-2-amine hydrochloride

• ChemBase编号: 133115
• 分子式: C11H18ClNO
• 平均质量: 215.71972
• 单一同位素质量: 215.10769188
• SMILES: Cc1cccc(c1OCC(C)N)C.Cl
• Canonical SMILES: CC(COc1c(C)cccc1C)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
• InChIKey: NFEIBWMZVIVJLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,6-dimethylphenoxy)propan-2-amine hydrochloride; 2-(2-aminopropoxy)-1,3-dimethylbenzene hydrochloride
• IUPAC传统名: 1-(2,6-dimethylphenoxy)propan-2-amine hydrochloride; mexiletine hydrochloride
• 别名: 1-(2,6-二甲基苯氧基)-2-丙胺 盐酸盐; Mexiletine HCl; 1-(2,6-Xylyloxy)-2-aminopropane hydrochloride; Mexiletine hydrochloride; 1-(2,6-Dimethylphenoxy)-2-propanamine hydrochloride; 2-(2-aminopropoxy)-1,3-dimethylbenzene hydrochloride; 1-(2,6-Dimethylphenoxy)-2-propanamine Hydrochloride; 1-Methyl-2-(2,6-xylyloxy)ethylamine Hydrochloride; Katen; Ko 1173; Ko 1173Cl; Mexilitene; Mexitil; Ritalmex; Mexiletine Hydrochloride; (2S)-1-(2,6-Dimethylphenoxy)-2-propanamine Hydrochloride; (+)-(S)-Mexiletine Hydrochloride; (+)-Mexiletine Hydrochloride; S-(+)-Mexiletine Hydrochloride

登记号

• CAS号: 5370-01-4; 81771-85-9
• EC号: 250-825-7
• MDL号: MFCD00216024
• PubChem SID: 24278542; 24869930; 162227392
• PubChem CID: 21467

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.52837545
• LogD (pH = 7.4): 0.39041123
• Log P: 2.4620085
• 摩尔折射率: 54.9722 cm^3
• 极化性: 21.605932 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol; methanol: soluble50 mg/mL; Water
• 外观: white to off-white powder; White to Off-White Solid
• 熔点: 200 - 203°C; 200-203 °C(lit.); 203-205°C
• 疏水性(logP): 2.569

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98% (GC); 95%; 97%
• 成盐信息: HCl
• 线性分子式: (CH3)2C6H3OCH2CH(CH3)NH2·HCl

详细说明

Sigma Aldrich - M2727

Biochem/physiol Actions
Class IB antiarrhythmic; sodium channel blocker

Sigma Aldrich - 462047

包装
1 g in glass bottle

Toronto Research Chemicals - M340800

Antiarrhythmic (class IB).

Toronto Research Chemicals - M340795

The S-enantiomer of Mexiletine (M340800). Antiarrhythmic (class IB).

参考文献

• Singh, E.M., et al.: Br. J. Pharmacol., 44, 1 (1972)
• Scott, K.N., et al.: Drug Metab. Dispos., 1, 506 (1972)
• Chew, C.Y.C., et al.: Drugs, 17, 161 (1972)
• Abounassif, M.A., et al.: Anal. Profiles Drug Subs., 20, 433 (1972)
• Singh, E.M., et al.: Br. J. Pharmacol., 44, 1 (1972)
• Scott, K.N., et al.: Drug Metab. Dispos., 1, 506 (1972)
• Chew, C.Y.C., et al.: Drugs, 17, 161 (1972)
• Abounassif, M.A., et al.: Anal. Profiles Drug Subs., 20, 433 (1972)