Ethanaminium,N-ethyl-2-hydroxy-N,N-dimethyl- | 13205-69-1
Ethanaminium,N-ethyl-2-hydroxy-N,N-dimethyl-
13205-69-1
C6H16NO+
118.19734
名称和标识符
InChIKey |
VKHSBLZDXXEWNM-UHFFFAOYSA-N |
Inchi |
InChI=1S/C6H16NO/c1-4-7(2,3)5-6-8/h8H,4-6H2,1-3H3/q+1 |
SMILES |
C([N+](C)(C)CCO)C |
别名信息
- 英文别名 -
- Ethanaminium,N-ethyl-2-hydroxy-N,N-dimethyl-
- ethyl-(2-hydroxyethyl)-dimethylazanium
- monoethylcholine
- 2-hydroxy-N,N,N-trimethylbutan-1-aminium
- N-ethyl-2-hydroxy-N,N-dimethylethanaminium
- N-ethyl-2-hydroxy-N,N-dimethylethanaminium iodide
- 2-Hydroxyethylethyldimethylammonium
- Ethyl(2-hydroxyethyl)dimethylaminium
- Ethyl(2-hydroxyethyl)dimethylammonium
- 13205-69-1
- UNII-6J5QMU852F
- N,N,N-DIMETHYLMONOETHYLAMINOETHANOL
- Monoethylcholine
- 6J5QMU852F
- Ethyl-(2-hydroxy-ethyl)-dimethyl-ammonium
- Q27264989
- DIMETHYLETHYLCHOLINE
- Ethanaminium, N-ethyl-2-hydroxy-N,N-dimethyl-
- CHEMBL105536
- DTXSID00157326
- SCHEMBL1598462
- Ethylcholine
- BDBM50147116
物化性质
实验特性
PSA |
20.23 |
沸点 |
°Cat760mmHg |
闪点 |
°C |
密度 |
g/cm3 |
计算特性
精确分子量 |
118.12328 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
3 |
同位素质量 |
245.027657 |
重原子数量 |
9 |
复杂度 |
61.5 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
2 |
疏水参数计算参考值(XlogP) |
0 |
拓扑分子极性表面积 |
20.2 |
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