2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride

• ChemBase编号: 243635
• 分子式: C14H17ClN2O2
• 平均质量: 280.74998
• 单一同位素质量: 280.09785547
• SMILES: C(=O)(N(Cc1occc1)C)C(c1ccccc1)N.Cl
• Canonical SMILES: O=C(C(c1ccccc1)N)N(Cc1ccco1)C.Cl
• InChI: InChI=1S/C14H16N2O2.ClH/c1-16(10-12-8-5-9-18-12)14(17)13(15)11-6-3-2-4-7-11;/h2-9,13H,10,15H2,1H3;1H
• InChIKey: HOUANWJKGHJORH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride
• IUPAC传统名: 2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride
• 别名: 2-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylacetamide hydrochloride

登记号

• MDL号: MFCD22578722
• PubChem SID: 164299545
• PubChem CID: 71757304

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.9565813
• LogD (pH = 7.4): 0.71704185
• Log P: 1.2140831
• 摩尔折射率: 68.9804 cm^3
• 极化性: 26.87856 Å^3
• 极化表面积: 59.47 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): 1.263

产品相关信息

• 纯度: 95%