39k HTE dataset from Pfizer · 10.1038/s41557
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)[C@H]1CC[C@H](C(C)C)P1CCP1[C@@H](C(C)C)CC[C@@H]1C(C)C
- InChIKey
- IRVIFEWWPYKALC-GXRSIYKFSA-N
- 分子式
- C22H44P2
- 平均分子量
- 370.5 g/mol
- 单同位素质量
- 370.2918254
COMPUTED
结构计算性质
- XLogP
- 6.2
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 7
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 306
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];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
ALIASES
名称与别名
REACTIONS
参与反应
39k HTE dataset from Pfizer · 10.1038/s41557
查看39k HTE dataset from Pfizer · 10.1038/s41557
查看39k HTE dataset from Pfizer · 10.1038/s41557
查看39k HTE dataset from Pfizer · 10.1038/s41557
查看39k HTE dataset from Pfizer · 10.1038/s41557
查看39k HTE dataset from Pfizer · 10.1038/s41557
查看39k HTE dataset from Pfizer · 10.1038/s41557
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