N-(3-bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide

• ChemBase编号: 166176
• 分子式: C12H17BrN2O
• 平均质量: 285.18018
• 单一同位素质量: 284.05242517
• SMILES: c1cc(c(c(c1C)NC(=O)CNCC)C)Br
• Canonical SMILES: CCNCC(=O)Nc1c(C)ccc(c1C)Br
• InChI: InChI=1S/C12H17BrN2O/c1-4-14-7-11(16)15-12-8(2)5-6-10(13)9(12)3/h5-6,14H,4,7H2,1-3H3,(H,15,16)
• InChIKey: YDYGWAJFVCUMKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide
• IUPAC传统名: N-(3-bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide
• 别名: N-(3-Bromo-2,6-dimethylphenyl)-2-(ethylamino)acetamide; N-Desethyl 3-Bromo Lidocaine

登记号

• PubChem SID: 162260309
• PubChem CID: 71315598

理论计算性质

• Acid pKa: 13.552777
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.024561448
• LogD (pH = 7.4): 1.6764909
• Log P: 2.8718102
• 摩尔折射率: 71.5091 cm^3
• 极化性: 26.69817 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: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: Yellow Solid

详细说明

Toronto Research Chemicals - D288920

Intermediate in the preparation of hydroxylated Lidocaine metabolites.