基本信息
- 标准SMILES
C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[I-]- InChIKey
BPGOAOSBJKHSJL-UHFFFAOYSA-M- 分子式
- C15H15F19INO
- 平均分子量
- 713.16 g/mol
- 单同位素质量
- 712.98949828
名称与标识
- 首选名称
- [4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide
- IUPAC
- [4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]-trimethylazanium iodide
- 英文名
- [4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide
- 分子式
- C15H15F19INO
- 分子量
- 713.1598308
名称与别名
80909-29-1EINECS 279-621-6[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide(4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl)trimethylammonium iodide3-(Perfluoro-7-(methyl)octyl)-2-hydroxypropyltrimethylammonium iodideDTXSID00880985NS000904294,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-N,N,N-trimethyl-10-(trifluoromethyl)undecan-1-aminium iodide
数据库标识
- CAS
80909-29-1- PubChem CID
- 3018975
- DTXSID
DTXSID00880985- EC Number
- 279-621-6
性质
结构计算性质
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 21
- 可旋转键
- 10
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 761
实验与物化性质
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
物理化学性质
- EPA化学物质信息
- 3 · 3-(Perfluoro-7-(methyl)octyl)-2-hydroxypropyltrimethylammonium iodide (80909-29-1)
化学与工业
用途与制造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
相关反应
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