Bis-(2-N-methylpyrrolidinyl)-methan | 24255-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: Bis-(2-N-methylpyrrolidinyl)-methan
• 英文别名: 1,1'-dimethyl-2,2'-methanediyl-bis-pyrrolidine；1-Methyl-2-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
• CAS: 24255-88-7
• 化学式: C₁₁H₂₂N₂
• 分子量: 182.309
• InChiKey: GHARAZIBAFFOCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• System for the determination of selective absorbent molecules through predictive correlations
  申请人：Furman Kevin C.

  公开号：US20110202328A1

  公开（公告）日：2011-08-18

  A method for determining absorbent molecules that are effective for the property of acid gas removal from feedstreams comprising a) determining a set of known molecules that are effective for acid gas removal, b) defining descriptive parameters (descriptors) that correlate with the structure of molecules with known acid gas removal, c) assigning a value to each descriptor for each of the known molecules and developing a quantitative structure and property relationship (QSPR), and d) generating molecular structures that will be effective for acid gas removal from the structure and property relationship.