Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide (1:1) | 33667-47-9
Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide (1:1)
33667-47-9
C11H18NO.HO
197.27406
名称和标识符
InChIKey |
TVVUHQXSPNKNOA-UHFFFAOYSA-M |
Inchi |
InChI=1S/C11H18NO.H2O/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;/h3-7,13H,8-10H2,1-2H3;1H2/q+1;/p-1 |
SMILES |
[OH-].OCC[N+](CC1=CC=CC=C1)(C)C |
别名信息
- 英文别名 -
- Benzenemethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide (1:1)
- benzyl-(2-hydroxyethyl)-dimethylazanium,hydroxide
- Benzenemethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide
- Benzyl(2-hydroxyethyl)dimethylammonium, hydroxide
- N-benzyl-2-hydroxy-N,N-dimethylethanaminium hydroxide
- 33667-47-9
- Benzenemethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide (1:1)
- benzyl-2-hydroxyethyldimethyl-ammonium hydroxide
- NS00090326
- EINECS 251-623-1
- Benzyl(2-hydroxyethyl)dimethylammonium hydroxide
- DTXSID3067784
- AKOS006229468
- SCHEMBL5670382
物化性质
实验特性
PSA |
50.23 |
沸点 |
°Cat760mmHg |
闪点 |
°C |
计算特性
精确分子量 |
197.14167 |
氢键供体数量 |
2 |
氢键受体数量 |
2 |
可旋转化学键数量 |
4 |
同位素质量 |
197.142 |
重原子数量 |
14 |
复杂度 |
139 |
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 |
拓扑分子极性表面积 |
21.2Ų |
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