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
- CN(C)CCc1ccc([N+](=O)[O-])cc1
- InChIKey
- QRJSXWJAUQIENU-UHFFFAOYSA-N
- 分子式
- C10H14N2O2
- 平均分子量
- 194.23 g/mol
- 单同位素质量
- 194.10552769
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 49.1 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 181
ALIASES
名称与别名
n,n-dimethyl-2-(4-nitrophenyl)ethanamine5339-05-9dimethyl[2-(4-nitrophenyl)ethyl]amineNSC3461Benzeneethanamine, N,N-dimethyl-4-nitro-SCHEMBL777298SCHEMBL6554502DTXSID80968038QRJSXWJAUQIENU-UHFFFAOYSA-NN-(4-nitrophenylethyl)dimethylamineNSC-3461N,N-DIMETHYL-P-NITROPHENETHYLAMINEdimethyl-[2-(4-nitro-phenyl)-ethyl]-amineN,N-Dimethyl-2-(4-nitrophenyl)ethan-1-amineEN300-205268
REACTIONS