基本信息
- CAS
72828-97-8- 标准SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2cc(Cl)ccc2C#N)c(C)c1.COS(=O)(=O)[O-]- InChIKey
GVVFWJHJAHHFOX-UHFFFAOYSA-M- 分子式
- C22H30ClN5O4S
- 平均分子量
- 496 g/mol
- 单同位素质量
- 495.1707033
名称与标识
- 首选名称
- Ethanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium;methyl sulfate
- 英文名
- [2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulphate
- 分子式
- C22H27ClN4O4S
- 分子量
- 496.02
名称与别名
72828-97-8DTXSID10887804EINECS 276-899-02-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium methyl sulfateEthanaminium, 2-((4-((5-chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfateEthanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)Ethanaminium, 2-[[4-[2-(5-chloro-2-cyanophenyl)diazenyl]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfate (1:1)Ethanaminium, 2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfateRefChem:138050DTXCID601027089(2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphateGVVFWJHJAHHFOX-UHFFFAOYSA-M
展开更多名称
[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulfate[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulphate
性质
结构计算性质
- 极性表面积
- 127 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 625
物理化学性质
- EPA化学物质信息
- 2 · Ethanaminium, 2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfate (72828-97-8)
安全与法规
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
安全数据
- tsca
- TSCA listed
相关反应
0 条
当前筛选下没有反应记录。
化合物笔记
加载中…