化工网/ CAS号查询/ Methyl (3s,6s)-6-methylpiperidine-3-carboxylate | 1009376-90-2

Methyl (3s,6s)-6-methylpiperidine-3-carboxylate | 1009376-90-2

Methyl (3s,6s)-6-methylpiperidine-3-carboxylate结构式图片|1009376-90-2结构式图片
中文名称:Methyl (3s,6s)-6-methylpiperidine-3-carboxylate
英文名称:Methyl trans-6-Methylpiperidine-3-carboxylate
CAS No.:1009376-90-2 分子式:C8H15NO2 分子量:157.2102
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:Methyl (3s,6s)-6-methylpiperidine-3-carboxylate结构式
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名称和标识符
Inchi 1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey AJUGGHOVBBTHCD-BQBZGAKWSA-N
SMILES O(C([H])([H])[H])C([C@]1([H])C([H])([H])N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])=O
别名信息
- 中文别名 -
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- 英文别名 -
methyl (3S,6S)-6-methylpiperidine-3-carboxylate Methyl trans-6-Methylpiperidine-3-carboxylate (3S,6S)-Methyl 6-Methylpiperidine-3-carboxylate rel-(3R,6R)-6-Methylpiperidine-3-carboxylic acid methyl ester SB22045 SB22048 trans-3-iperidinecarboxylic acid, 6-ethyl-, methyl ester (3s,6s)-3-iperidinecarboxylic acid, 6-ethyl-, methyl ester (3S,6S)-6-Methyl-piperidine-3-carboxylic acid methyl ester
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物化性质
 计算特性
氢键供体数量 1
氢键受体数量 3
重原子数量 11
可旋转化学键数量 2
复杂度 147
疏水参数计算参考值(XlogP) 0.6
拓扑分子极性表面积 38.3
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