76-23-3 (替曲比妥,2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-)

快速询单

结构式：

替曲比妥MOL文件

CAS号：

76-23-3

中文名称：

替曲比妥

英文名称：

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-

分子式：

C₁₂H₂₀N₂O₃

分子量：

240.298803329468

简介：

替曲比妥是一种化学物质，化学式是C12H20N2O3。

替曲比妥(76-23-3)名称与标识符

名称

中文别名：

替曲比妥;

英文别名：

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-ethylbutyl)-;5-ethyl-5-hexan-3-yl-1,3-diazinane-2,4,6-trione;5-Aethyl-5-(1-aethyl-butyl)-barbitursaeure;5-Aethyl-5-< 1-aethyl-butyl> -barbitursaeure;5-ethyl-5-(1-ethyl-butyl)-barbituric acid;5-ethyl-5-(1-ethyl-butyl)-pyrimidine-2,4,6-trione;AC1Q2UL0;AC1Q6GBB;butysal;Butysedol;SureCN1643533;Tetrabarbital;Tetrabarbitalum;TETRAMAL;TETRABARBITAL [MI];Tetrabarbitalum [INN-Latin];UNII-3K441526FO;CHEMBL2107053;NS00041050;CHEBI:134977;SCHEMBL1643533;EINECS 200-946-6;IL 991;(R,S)-5-Ethyl-5-(1-ethylbutyl)barbitursaeure;3K441526FO;TETRABARBITAL [INN];5-Ethyl-5-(1-ethylbutyl)barbituric acid;Q7706207;Tetrabarbital [INN:DCF];76-23-3;DTXSID50861623;

标识符

InChIKey：

ZLUNGGZJSQDFPH-UHFFFAOYSA-N

Inchi：

1S/C12H20N2O3/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)

SMILES：

O=C1C(C(NC(N1)=O)=O)(CC)C(CC)CCC

替曲比妥(76-23-3)物化性质

实验特性

PSA : 75.27
熔点 : 122°

计算特性

精确分子量 : 240.1475
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 240.14739250g/mol
重原子数量 : 17
复杂度 : 319
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） : 2.6
拓扑分子极性表面积 : 75.3Å²

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