Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(C)c(N2CCCC2)c(C)c1N
- InChIKey
- WZOOMOPBWZWSJN-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
- 2.9
- 极性表面积
- 29.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 211
ALIASES
名称与别名
250651-02-62,4,6-Trimethyl-3-(pyrrolidin-1-yl)aniline2,4,6-trimethyl-3-pyrrolidin-1-yl-aniline2,4,6-trimethyl-3-pyrrolidin-1-ylaniline2,4,6-Trimethyl-3-pyrrolidin-1-yl-phenylamineSCHEMBL532945DTXSID90445022WZOOMOPBWZWSJN-UHFFFAOYSA-NMFCD17926231DB-1487682,4,6-Trimethyl-3-(1-pyrrolidinyl)benzenamineBenzenamine, 2,4,6-trimethyl-3-(1-pyrrolidinyl)-N-(3-AMINO-2,4,6-TRIMETHYL-PHENYL)-PYRROLIDINE
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07288538B2
查看uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07288538B2
查看uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07288538B2
查看uspto-grants-2009_08 · 10.6084/m9.figshare.5104873.v1 · US07579340B2
查看uspto-grants-2009_08 · 10.6084/m9.figshare.5104873.v1 · US07579340B2
查看uspto-grants-2009_08 · 10.6084/m9.figshare.5104873.v1 · US07579340B2
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