Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate 基本信息
中文名称 | Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate |
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中文同义词 | |
英文名称 | Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate |
英文同义词 | Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate;L-Valine, N-(1H-indazol-3-ylcarbonyl)-3-methyl-, methyl ester;N-(1H-Indazol-3-ylcarbonyl)-3methyl-L-valine methyl ester |
CAS号 | 2709672-58-0 |
分子式 | C15H19N3O3 |
分子量 | 289.34 |
EINECS号 | |
相关类别 | |
Mol文件 | 2709672-58-0.mol |
结构式 | ![]() |
Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate 性质
沸点 | 523.1±30.0 °C(Predicted) |
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密度 | 1.213±0.06 g/cm3(Predicted) |
溶解度 | DMF:12.5mg/mL; DMF:PBS(pH 7.2)(1:1):0.5 mg/ml; DMSO:10mg/mL;乙醇:3mg/mL |
形态 | 结晶固体 |
酸度系数(pKa) | 11.72±0.46(Predicted) |
InChI | InChI=1/C15H19N3O3/c1-15(2,3)12(14(20)21-4)16-13(19)11-9-7-5-6-8-10(9)17-18-11/h5-8,12H,1-4H3,(H,16,19)(H,17,18)/t12-/s3 |
InChIKey | QEXPVGIGOZJEOO-PLAQIDKDNA-N |
SMILES | C(C1=NNC2=CC=CC=C12)(=O)N[C@@H](C(C)(C)C)C(=O)OC |&1:12,r| |