uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728176B2
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1ccccc1-c1ccccn1
- InChIKey
- GRTWYIODJKVPEV-UHFFFAOYSA-N
- 分子式
- C12H11N
- 平均分子量
- 169.22 g/mol
- 单同位素质量
- 169.08914936
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 12.9 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 155
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
Skin Irrit. 2 (100%);Eye Irrit. 2 (100%)
ALIASES
名称与别名
REACTIONS
相关反应
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