2-[4-(二乙氨基)苯基]-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷 | 920304-57-0
2-[4-(二乙氨基)苯基]-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷
2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
920304-57-0
C16H26BNO2
275.1941447258
名称和标识符
MDL |
MFCD10000956 |
InChIKey |
WVPMYKCIKQQJIV-UHFFFAOYSA-N |
Inchi |
1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3 |
SMILES |
O1C(C)(C)C(C)(C)OB1C1C=CC(N(CC)CC)=CC=1 |
别名信息
- 中文别名 -
- N,N-二乙基-4-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)苯胺
- 2,3,5-三-O-苯基-1-O-(4-硝基苯甲酰)-D-阿拉伯呋喃糖
- 4-(二乙氨基)苯基硼酸频哪醇酯
- N,N-二乙基-4-(4,4,5,5-甲基-1,3,2-二氧硼烷)苯胺
- N,N-二乙基-4-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)苯胺
- 2-[4-(二乙氨基)苯基]-4,4,5,5-四甲基-1,3,2-二氧环戊硼烷
- 2-[4-(二乙氨基)苯基]-4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷
- 英文别名 -
- Benzenamine,N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Benzenamine
- 4-(Diethylamino)phenylboronic Acid Pinacol Ester
- 2-[4-(Diethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- WVPMYKCIKQQJIV-UHFFFAOYSA-N
- N,N-diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- OR16404
- D3601
- 4-(Diethylamino)phenylboronic Acid Pinaco
- N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine (ACI)
- 4,4,5,5-Tetramethyl-2-(4-diethylaminophenyl)-1,3,2-dioxaborolane
- Diethyl[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine
- N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-diethylamine
物化性质
实验特性
LogP |
2.83200 |
PSA |
21.70000 |
折射率 |
1.504 |
沸点 |
377.028°C at 760 mmHg |
闪点 |
181.82°C |
密度 |
0.995 |
计算特性
精确分子量 |
275.20600 |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
4 |
同位素质量 |
275.206 |
重原子数量 |
20 |
复杂度 |
304 |
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 |
1 |
疏水参数计算参考值(XlogP) |
无 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
21.7 |
参考资料
Reaxys RN |
18950108 |
Beilstein |
N159673 |