uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2
查看IDENTITY
结构与身份
- 标准SMILES
- Nc1ccc(N=Nc2ccc(N)cc2)cc1
- InChIKey
- KQIKKETXZQDHGE-UHFFFAOYSA-N
- 分子式
- C12H12N4
- 平均分子量
- 212.25 g/mol
- 单同位素质量
- 212.1061964
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 76.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 201
GHS
GHS分类
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Eye Irrit. 2 (100%)
ALIASES
名称与别名
REACTIONS
参与反应
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