HCID2723657

4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate (1:1)

4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid

C19H23NO5S377.5 g/molCAS 83949-32-0

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C1(c2ccccc2)CCNCC1
InChIKey: NQLZTDKDXBKUGY-UHFFFAOYSA-N
分子式: C19H23NO5S
平均分子量: 377.5 g/mol
单同位素质量: 377.12969401

COMPUTED

结构计算性质

已同步

极性表面积: 112 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 434

ALIASES

名称与别名

共 45 条

4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate (1:1)RefChem:5265214-methylbenzene-1-sulfonic acid; 4-phenylpiperidine-4-carboxylic acid4-phenylpiperidine-4-carboxylic acid compound with 4-methylbenzenesulfonic acid (1:1)4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid4-PHENYL-4-PIPERIDINECARBOXYLIC ACID 4-METHYLBENZENESULFONATEMFCD000447094-phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate4-Phenylpiperidine-4-carboxylic acid p-methylbenzenesulfonate4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate4-Phenyl-4-piperidinecarboxylic Acid 4-Methylbenzenesulfonate; 4-Carboxy-4-phenylpiperidine p-Toluenesulfonate; 4-Phenyl-4-piperidinecarboxylic Acid p-Toluenesulfonate; 4-Phenylpiperidine-4-carboxylic Acid p-Toluenesulfonic Acid Salt; 4-Phenylpiperidine-4-carboxylic Acid TosylateRUB5D9T6QCSCHEMBL378736orb3029273PDK0372NQLZTDKDXBKUGY-UHFFFAOYSA-NDTXSID701351758IDA94932SBB027298AKOS008168961

REACTIONS