计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| M130028-25g |
25g |
现货 ![]() |
| |
| M130028-100g |
100g |
现货 ![]() |
| |
| M130028-250g |
250g |
现货 ![]() |
| |
| M130028-500g |
500g |
现货 ![]() |
| |
| M130028-2.5kg |
2.5kg |
现货 ![]() |
|
| 英文别名 | N,4-DIMETHYLBENZENESULFONAMIDE | (p-Tolylsulfonyl)methylamine | p-Toluene-N-methylsulfonamide | MLS000530144 | Benzenesulfonamide, N,4-dimethyl- | p-Toluenesulfonamide, N-methyl- | n-methylp-toluenesulfonamide |
|---|---|
| 规格或纯度 | ≥98%(HPLC) |
| 英文名称 | N-Methyl-p-toluenesulfonamide |
| 运输条件 | 常规运输 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| PubChem SID | 488181696 |
|---|---|
| EC号 | 211-366-8 |
| 分子类型 | 小分子 |
| IUPAC Name | N,4-dimethylbenzenesulfonamide |
| INCHI | InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3 |
| InChi Key | GWLOGZRVYXAHRE-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC |
| WGK Germany | 3 |
| PubChem CID | 12543 |
| 分子量 | 185.24 |
| Beilstein号 | 974222 |
| Reaxy-Rn | 974222 |
| 溶解性 | 可溶于甲醇 |
|---|---|
| 熔点 | 77.0-82.0°C |
| 分子量 | 185.250 g/mol |
| XLogP3 | 1.300 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 185.051 Da |
| 单同位素质量Monoisotopic Mass | 185.051 Da |
| 拓扑极表面积Topological Polar Surface Area | 54.600 Ų |
| 重原子数Heavy Atom Count | 12 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 222.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| WGK Germany | 3 |
|---|---|
| Reaxy-Rn | 974222 |
| 个人防护装备 | Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter |
| Melting point | 77-82(℃) |
|---|---|
| Purity(HPLC) | 98-100(%) |
| Appearance(M130028) | White to light yellow to yellow crystals or solid |
| Proton NMR spectrum | Conforms to Structure |
| 1. Yuehua Deng, Wei Luo, Zhiyong Zheng, Guixuan Wei, Shiyuan Liu, Yanbin Jiang, Huaiyu Yang. (2023) Prediction of co-amorphous formation using non-bonded interaction energy: Molecular dynamic simulation and experimental validation. CHEMICAL ENGINEERING SCIENCE, 272 (118618). [10.1016/j.ces.2023.118618] |
| 1. Yuehua Deng, Wei Luo, Zhiyong Zheng, Guixuan Wei, Shiyuan Liu, Yanbin Jiang, Huaiyu Yang. (2023) Prediction of co-amorphous formation using non-bonded interaction energy: Molecular dynamic simulation and experimental validation. CHEMICAL ENGINEERING SCIENCE, 272 (118618). [10.1016/j.ces.2023.118618] |