uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456164B2
查看IDENTITY
结构与身份
- 标准SMILES
- CC1(C)CCCN1
- InChIKey
- PHODFIDDEBEGCS-UHFFFAOYSA-N
- 分子式
- C6H13N
- 平均分子量
- 99.17 g/mol
- 单同位素质量
- 99.10479942
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 12 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 66
PROPERTIES
实验与物化性质
Kovats Retention Index
746;746
GHS
GHS分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (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
Acute Tox. 4 (100%)
ALIASES
名称与别名
REACTIONS
参与反应
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