O-benzotriazol-1-yl-tetramethyluronium 分子结构式
HCID130500

O-benzotriazol-1-yl-tetramethyluronium

[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium

C11H16N5O+234.28 g/molCAS 221036-98-2

IDENTITY

结构与身份

标准SMILES
CN(C)C(On1nnc2ccccc21)=[N+](C)C
InChIKey
CLZISMQKJZCZDN-UHFFFAOYSA-N
分子式
C11H16N5O+
平均分子量
234.28 g/mol
单同位素质量
234.13548515

COMPUTED

结构计算性质

已同步
XLogP
1.4
极性表面积
46.2 Ų
氢键供体
0
氢键受体
3
可旋转键
3
重原子
17
形式电荷
1
复杂度
287

ALIASES

名称与别名

共 21 条
O-benzotriazol-1-yl-tetramethyluroniumBC3YQ8JNG8SCHEMBL78773SCHEMBL118552SCHEMBL29544944SCHEMBL30378712CLZISMQKJZCZDN-UHFFFAOYSA-N[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazaniumNCGC00184705-01NS00002466O-benzotriazol-1-yl-N,N,N',N'-tetramethyluroniumO-(benzotriazol-1-yl)-1,1,3,3-tetramethyluroniumO-benzotriazol-1-yl-N,N, N',N'-tetramethyluronium2-(1h-benzotriazole-1-yl)1,1,3,3-tetramethyluroniumO-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyluroniumO-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium[(benzotriazol-1-yloxy)-dimethylamino methylene]-dimethyl-ammonium[(Benzotriazol-1-yloxy)-dimethylamino-methylene]-dimethyl-ammoniumMethanaminium, N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methyl-

REACTIONS

相关反应

1,929
HRID 32829 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427635B2

查看
HRID 44651 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541429B2

查看
HRID 85827 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 85880 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 86220 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 86296 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 86478 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 87466 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看