N-(2,6-dimethylphenyl)-2-[(2H5)ethylamino]acetamide hydrochloride

• ChemBase编号: 175674
• 分子式: C12H19ClN2O
• 平均质量: 242.74506
• 单一同位素质量: 242.11859092
• SMILES: c1ccc(c(c1C)NC(=O)CNCC)C.Cl
• Canonical SMILES: CCNCC(=O)Nc1c(C)cccc1C.Cl
• InChI: InChI=1S/C12H18N2O.ClH/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);1H
• InChIKey: KPXFVVHMUVBVGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-2-[(^2H₅)ethylamino]acetamide hydrochloride
• IUPAC传统名: N-(2,6-dimethylphenyl)-2-[(^2H₅)ethylamino]acetamide hydrochloride
• 别名: N-(2,6-Dimethylphenyl)-2-(ethylamino-d5)acetamide Hydrochloride; 2-(Ethylamino-d5)-2',6'-acetoxylidide Hydrochloride; L 86-d5; MEGX-d5; Monoethylglycylxylidide-d5 Hydrochloride; N-(N-Ethyl-d5)glycyl-2,6-xylidine Hydrochloride; N-(Ethyl-d5)glycinexylidide-d5 Hydrochloride; ω-(Ethylamino-d5)-2',6'-dimethylacetanilide Hydrochloride; N-Desethyl Lidocaine-d5 Hydrochloride; Nor Lidocaine-d5 Hydrochloride

登记号

• PubChem SID: 164231584
• PubChem CID: 71751223

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: Methanol
• 外观: White Solid
• 熔点: 266-273°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - N713502

A labelled metabolite of Lidocaine (L397800).

参考文献

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