8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylacetate hydrochloride

• ChemBase编号: 191834
• 分子式: C22H26ClNO2
• 平均质量: 371.90034
• 单一同位素质量: 371.16520676
• SMILES: C(=O)(OC1CC2N(C(C1)CC2)C)C(c1ccccc1)c1ccccc1.Cl
• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C22H25NO2.ClH/c1-23-18-12-13-19(23)15-20(14-18)25-22(24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-21H,12-15H2,1H3;1H
• InChIKey: JUFVBYPDDWKLQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylacetate hydrochloride
• IUPAC传统名: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylacetate hydrochloride

登记号

• PubChem SID: 164247744
• PubChem CID: 2910907

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.63447356
• LogD (pH = 7.4): 2.008831
• Log P: 3.9858162
• 摩尔折射率: 99.1367 cm^3
• 极化性: 39.190945 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl
• 分类: Derivatives & analogs of Natural Compounds