1-偶氮-2-羟基-3-(酰基-2,4-二甲苯胺)-萘-1-(2-羟基苯-5-磺酸) | 36505-52-9
1-偶氮-2-羟基-3-(酰基-2,4-二甲苯胺)-萘-1-(2-羟基苯-5-磺酸)
Benzenesulfonic acid,3-[2-[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-4-hydroxy-
36505-52-9
C25H21N3O6S
491.51574
名称和标识符
InChIKey |
JZQONTDEAKNNEP-BYYHNAKLSA-N |
Inchi |
InChI=1S/C25H21N3O6S/c1-14-7-9-20(15(2)11-14)26-25(31)19-13-23(30)24(18-6-4-3-5-17(18)19)28-27-21-12-16(35(32,33)34)8-10-22(21)29/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34)/b28-27+ |
SMILES |
CC1C=C(C)C=CC=1NC(C1C2C(=CC=CC=2)C(/N=N/C2=C(O)C=CC(S(O)(=O)=O)=C2)=C(O)C=1)=O |
别名信息
- 中文别名 -
- 二甲苯铵蓝
- 二甲苯铵蓝I
- 1-偶氮-2-羟基-3-(酰基-2,4-二甲苯胺)-萘-1-(2-羟基苯-5-磺酸)
- 英文别名 -
- Benzenesulfonic acid,3-[2-[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-4-hydroxy-
- Benzenesulfonic acid,3-[2-[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]di...
- XB-I
- Xylylazo violet I
- XYLIDYL BLUE I
- XylidylbuleI
- xylylazoviolet
- EINECS 253-071-7
- 3-[2-[4-[[(2,4-Dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-4-hydroxybenzenesulfonic acid
- Xylidyl Blue 1
- 36505-52-9
- DTXSID001108312
- 3-[(E)-[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxy-benzenesulfonic acid
- 3-((4-(((2,4-Dimethylphenyl)amino)carbonyl)-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonic acid
- 3-[[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonic acid
- (E)-3-((4-(2,4-dimethylphenylcarbamoyl)-2-hydroxynaphthalen-1-yl)diazenyl)-4-hydroxybenzenesulfonic acid
- 3-[[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonic acid
- NS00057934
物化性质
实验特性
LogP |
6.93600 |
PSA |
157.03000 |
折射率 |
1.681 |
沸点 |
°Cat760mmHg |
闪点 |
°C |
密度 |
1.43 |
计算特性
精确分子量 |
491.11500 |
氢键供体数量 |
4 |
氢键受体数量 |
8 |
可旋转化学键数量 |
5 |
同位素质量 |
491.115 |
重原子数量 |
35 |
复杂度 |
988 |
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 |
1 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4.5 |
拓扑分子极性表面积 |
154A^2 |
1-偶氮-2-羟基-3-(酰基-2,4-二甲苯胺)-萘-1-(2-羟基苯-5-磺酸)推荐生产厂家