Propanoic acid,2-methyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethylester | 75908-85-9
Propanoic acid,2-methyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethylester
75908-85-9
C21H23N5O4
409.43842
名称和标识符
InChIKey |
FUPDULJPZHOYCR-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H23N5O4/c1-16(2)21(27)30-15-14-25(13-3-12-22)19-8-4-17(5-9-19)23-24-18-6-10-20(11-7-18)26(28)29/h4-11,16H,3,13-15H2,1-2H3 |
SMILES |
CC(C)C(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
别名信息
- 英文别名 -
- Propanoic acid,2-methyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethylester
- 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate
- 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-methylpropanoate
- 2-((2-Cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl isobutyrate
- 2-[(2-cyanoethyl){4-[(E)-(4-nitrophenyl)diazenyl]phenyl}amino]ethyl 2-methylpropanoate
- Propanoic acid, 2-methyl-, 2-((2-cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl ester
- Propanoic acid, 2-methyl-, 2-((2-cyanoethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)ethyl ester
- DTXSID20888504
- EINECS 278-342-7
- 2-[(2-CYANOETHYL)[4-[(4-NITROPHENYL)AZO]PHENYL]AMINO]ETHYL ISOBUTYRATE
- 75908-85-9
- NS00059821
- Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester
- Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester
物化性质
实验特性
折射率 |
1.588 |
沸点 |
608.8°C at 760 mmHg |
闪点 |
322°C |
密度 |
1.21 |
计算特性
精确分子量 |
409.175 |
氢键供体数量 |
0 |
氢键受体数量 |
8 |
可旋转化学键数量 |
10 |
同位素质量 |
409.175 |
重原子数量 |
30 |
复杂度 |
623 |
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) |
4.3 |
拓扑分子极性表面积 |
124Ų |
Propanoic acid,2-methyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethylester推荐生产厂家