4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione

4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione 基本信息
CAS号 113458-69-8 分子式 C9H13N5O4
分子量 255.23100 精确质量  255.09700
PSA  106.83000 LogP  -1.85050

基本信息 展开↓

CAS号:
113458-69-8
3D弹球模型:
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分子式:
C9H13N5O4
分子量:
255.23100
英文名称:
4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
英文别名:
4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione;
Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione,2,4,4a,8-tetrahydro-6,8-dimethyl-4a-ethoxy;
2,3,4,4a,5,6,7,8-octahydro-4a-ethoxy-6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-3,5,7-trione;
2,4,4a,8-Tetrahydro-6,8-dimethyl-4a-ethoxypyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione
精确分子量/精确质量:
255.09700
极性分子表面积/PSA:
106.83000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: XZIGFXBWLGVKAK-UHFFFAOYSA-N

物化性质展开↓

密度:
1.62g/cm3
折射率:
1.686

合成路线查看所有的合成路线

  • 64-17-5

    乙醇

  • +

  • 106609-89-6

    6,8-dimethyl-3,5,7-trioxo-2,3,5,6,7,8-hexahydropyrimido[5,4-e][1,2,4]triazine-4-oxide

  • ~75%

  • 113458-69-8

    4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione

  • 18969-83-0

    6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione

  • +

  • 64-17-5

    乙醇

  • ~72%

  • 113458-69-8

    4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione

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