N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide

• ChemBase编号: 153262
• 分子式: C12H18N2O
• 平均质量: 206.28412
• 单一同位素质量: 206.14191321
• SMILES: CCNCC(=O)Nc1c(cccc1C)C
• Canonical SMILES: CCNCC(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)
• InChIKey: WRMRXPASUROZGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide
• IUPAC传统名: monoethylglycinexylidide
• 别名: N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide; 2-(Ethylamino)-2',6'-acetoxylidide; L 86; MEGX; Monoethylglycylxylidide; N-(N-Ethylglycyl)-2,6-xylidine; N-Ethylglycinexylidide; ω-Ethylamino-2',6'-dimethyl-acetanilide; N-Desethyl Lidocaine; Nor Lidocaine; Monoethylglycinexylidide; N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide; Norlidocaine; MEGX

登记号

• CAS号: 7728-40-7
• MDL号: MFCD00098991
• PubChem SID: 162247401
• PubChem CID: 24415

理论计算性质

• Acid pKa: 13.785018
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.7506011
• LogD (pH = 7.4): 0.89771
• Log P: 2.1030574
• 摩尔折射率: 63.8863 cm^3
• 极化性: 23.951906 Å^3
• 极化表面积: 41.13 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: ≥16 mg/mL; Methanol
• 外观: White Solid; white to tan powder
• 熔点: 242-245°C; 45 - 47°C
• 疏水性(logP): 0.818

安全信息

• 保存条件: -20°C Freezer
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC); 95%
• Empirical Formula (Hill Notation): C12H18N2O

详细说明

Sigma Aldrich - SML0087

Biochem/physiol Actions
Monoethylglycinexylidide (MEGX) is an active metabolite of lidocaine.

Toronto Research Chemicals - N713500

A metabolite of Lidocaine (L397800).

参考文献

• Fukuda, S., et al.: Anesthesiology, 53, 106 (1980)