uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723444
查看IDENTITY
结构与身份
- 标准SMILES
- NCCC1CCN(Cc2ccccc2)C1
- InChIKey
- IBSQNIPUVCQZAC-UHFFFAOYSA-N
- 分子式
- C13H20N2
- 平均分子量
- 204.31 g/mol
- 单同位素质量
- 204.16264865
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 29.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 175
ALIASES
名称与别名
2-(1-benzylpyrrolidin-3-yl)ethanamine2-(1-Benzylpyrrolidin-3-yl)ethan-1-amine2-(1-BENZYL-3-PYRROLIDINYL)ETHYLAMINE3-Pyrrolidineethanamine, 1-(phenylmethyl)-SCHEMBL4621517DTXSID50659668IBSQNIPUVCQZAC-UHFFFAOYSA-NALBB-010703AKOS005172576(3RS)-1-benzyl-3-aminoethyl pyrrolidineDB-012834CS-0444276
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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