Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1cc(OC)c(CN)c(OC)c1
- InChIKey
- MEWBOZDQQISMJM-UHFFFAOYSA-N
- 分子式
- C10H15NO3
- 平均分子量
- 197.23 g/mol
- 单同位素质量
- 197.10519334
COMPUTED
结构计算性质
- XLogP
- 0.7
- 极性表面积
- 53.7 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 151
物化、安全与法规信息正在同步。
ALIASES
名称与别名
77648-20-5(2,4,6-trimethoxyphenyl)methanamineDTXSID50350789RefChem:205491DTXCID90301856818-787-12,4,6-TRIMETHOXYBENZYLAMINEMFCD034110121-(2,4,6-TRIMETHOXYPHENYL)METHANAMINESCHEMBL4420702,4,6-trimethoxy-benzylamine2,4,6-trimethyoxy-benzylamineSCHEMBL2089775SCHEMBL8200192SCHEMBL27644483MEWBOZDQQISMJM-UHFFFAOYSA-NAKOS008105148AT39435FT66019SY048113
REACTIONS
参与反应
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939671B2
查看uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076491B2
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148544B2
查看uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09247759B2
查看uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08445692B2
查看