HCID2735673

2-Butyl-5-hydroxymethylimidazole

(2-butyl-1H-imidazol-5-yl)methanol

C8H14N2O154.21 g/molCAS 68283-19-2

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCCCc1ncc(CO)[nH]1
InChIKey: UZKBZGAMRJRWLR-UHFFFAOYSA-N
分子式: C8H14N2O
平均分子量: 154.21 g/mol
单同位素质量: 154.11061307

COMPUTED

结构计算性质

等待补全

XLogP: 0.9
极性表面积: 48.9 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 4
重原子: 11
形式电荷: 0
复杂度: 108

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 48 条

68283-19-22-Butyl-5-hydroxymethylimidazole2-N-Butyl-4-imidazolemethanolUNII-K14MM5OB9A1H-Imidazole-4-methanol, 2-butyl-1H-Imidazole-5-methanol, 2-butyl-K14MM5OB9ADTXSID10218432RefChem:86039DTXCID30140923636-183-4(2-Butyl-1H-imidazol-4-yl)methanol(2-butyl-1H-imidazol-5-yl)methanol2-BUTYL-4-HYDROXYMETHYL IMIDAZOLEMFCD002395162-(But-1-yl)-4-(hydroxymethyl)-1H-imidazoleBMI(2-butylimidazol-5-yl)methan-1-ol2-n-Butyl-4-hydroxymethylimidazole2-butyl-1H-imidazole-5-methanol

REACTIONS

参与反应

15 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看

uspto-grants-1994_12 · 10.6084/m9.figshare.5104873.v1 · US05374646

查看

uspto-grants-2000_03 · 10.6084/m9.figshare.5104873.v1 · US06040457

查看

uspto-grants-2000_03 · 10.6084/m9.figshare.5104873.v1 · US06040457

查看