2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride

• ChemBase编号: 244197
• 分子式: C15H19Cl2N3O
• 平均质量: 328.23686
• 单一同位素质量: 327.0905176
• SMILES: C(=O)(N(Cc1cnccc1)C)C(c1ccccc1)N.Cl.Cl
• Canonical SMILES: CN(C(=O)C(c1ccccc1)N)Cc1cccnc1.Cl.Cl
• InChI: InChI=1S/C15H17N3O.2ClH/c1-18(11-12-6-5-9-17-10-12)15(19)14(16)13-7-3-2-4-8-13;;/h2-10,14H,11,16H2,1H3;2*1H
• InChIKey: XEZSTKNTRDDZNS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride
• IUPAC传统名: 2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride
• 别名: 2-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride

登记号

• MDL号: MFCD22628476
• PubChem SID: 164300107
• PubChem CID: 71757447

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3068173
• LogD (pH = 7.4): 0.43808722
• Log P: 0.9361641
• 摩尔折射率: 74.4326 cm^3
• 极化性: 29.124481 Å^3
• 极化表面积: 59.22 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

• 疏水性(logP): 0.59

产品相关信息

• 纯度: 95%