灭草喹 | 81335-37-7
灭草喹
Imazaquin
81335-37-7
C17H17N3O3
311.335183858871
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:灭草喹结构式
名称和标识符
MDL |
MFCD00778521 |
InChIKey |
CABMTIJINOIHOD-UHFFFAOYSA-N |
Inchi |
1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) |
SMILES |
O=C(C1C(C2NC(C(C)C)(C)C(=O)N=2)=NC2C(=CC=CC=2)C=1)O |
别名信息
- 中文别名 -
- 灭草喹
- (RS)-2-(4-异丙基-4-甲基-5-氧代-2-咪唑啉-2-基)喹啉-3-羧酸
- 3-溴-6-氯-1H-吡咯并[3,2-c]吡啶
- WAKO092-04001灭草喹标准品
- 灭草喹标准品
- (±)-2-[4.5-二氢-4-甲基-4-(1-甲基乙基)-5-氧代-1氢-咪唑-2-基]-3-喹啉羧酸
- 2-(5-异丙基-5-甲基-4-氧代-2-咪唑啉-2-基)喹啉-3-羧酸
- 灭草喹,咪唑喹啉酸 标准品
- 杀草喹
- 咪唑喹啉酸
- 英文别名 -
- Imazaquin acid
- Imazaquin
- Imazaquin Solution
- 2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]quinoline-3-carboxylic acid
- 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-quinolinecarboxylic acid
- ac252,214
- Image
- rac-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid
- SCEPTER
- 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid
- 2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid
- 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-quinolinecarboxylic acid (ACI)
- (±)-Imazaquin
- 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid
- 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-quinoline-3-carboxylic acid
- AC 252214
- Image (pesticide)
- Scepter
- Toneup
物化性质
实验特性
LogP |
1.98850 |
PSA |
91.65000 |
折射率 |
1.6500 (estimate) |
沸点 |
451.38°C (rough estimate) |
熔点 |
219-224 ºC |
颜色与性状 |
白色固体 |
溶解性 |
25℃时溶解度为 |
密度 |
1.1420 (rough estimate) |
计算特性
精确分子量 |
311.12700 |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
3 |
重原子数量 |
23 |
复杂度 |
545 |
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 |
1 |
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) |
2.5 |
互变异构体数量 |
3 |
表面电荷 |
0 |
相关文献
-
1.
The role of indirect photochemical degradation in the environmental fate of pesticides: a review
Christina K. Remucal Environ. Sci.: Processes Impacts 2014 16 628
-
2.
Chemical-PDMS binding kinetics and implications for bioavailability in microfluidic devices
Alexander W. Auner,Kazi M. Tasneem,Dmitry A. Markov,Lisa J. McCawley,M. Shane Hutson Lab Chip 2019 19 864
-
3.
Distribution of pesticides in agricultural and urban soils of Brazil: a critical review
Caroline Lopes Feijo Fernandes,Lisiane Martins Volc?o,Paula Florêncio Ramires,Renata Rodrigues De Moura,Flavio Manoel Rodrigues Da Silva Júnior Environ. Sci.: Processes Impacts 2020 22 256
-
4.
Development of a high-throughput multi-residue method for analysis of common pesticides in aquatic environments by automated online solid phase extraction coupled with LC-MS/MS
Tielong Wang,Mengmeng Zhong,Meiling Lu,Jun Huang,Lee Blaney,Gang Yu Anal. Methods 2021 13 3160
-
5.
Multiresidue method for determining multiclass acidic pesticides in agricultural foods by liquid chromatography-tandem mass spectrometry
Shizuka Saito-Shida,Satoru Nemoto,Hiroshi Akiyama Anal. Methods 2021 13 894
-
6.
Molecularly imprinted polymers’ application in pesticide residue detection
Saqib Farooq,Jiyun Nie,Yang Cheng,Zhen Yan,Jing Li,Syed Asim Shah Bacha,Aamar Mushtaq,Hui Zhang Analyst 2018 143 3971
-
7.
A road map for multi-way calibration models
Graciela M. Escandar,Alejandro C. Olivieri Analyst 2017 142 2862
-
8.
Recent advances of enantioseparations in capillary electrophoresis and capillary electrochromatography
Huang Lu,Guonan Chen Anal. Methods 2011 3 488
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灭草喹(标准品)
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