2-amino-N-methyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide hydrochloride

• ChemBase编号: 242294
• 分子式: C14H17ClN2OS
• 平均质量: 296.81558
• 单一同位素质量: 296.07501185
• SMILES: C(=O)(N(Cc1cscc1)C)C(c1ccccc1)N.Cl
• Canonical SMILES: O=C(C(c1ccccc1)N)N(Cc1cscc1)C.Cl
• InChI: InChI=1S/C14H16N2OS.ClH/c1-16(9-11-7-8-18-10-11)14(17)13(15)12-5-3-2-4-6-12;/h2-8,10,13H,9,15H2,1H3;1H
• InChIKey: FJAZKTQBIDNSQF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD22566020
• PubChem SID: 164298204
• PubChem CID: 71756983

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.23641847
• LogD (pH = 7.4): 1.4372114
• Log P: 1.9342785
• 摩尔折射率: 73.6953 cm^3
• 极化性: 28.66355 Å^3
• 极化表面积: 46.33 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): 1.733

产品相关信息

• 纯度: 95%