(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine,hydrochloride

(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine,hydrochloride 基本信息
CAS号 136719-25-0 分子式 C27H32ClNOS2
分子量 486.13200 精确质量  485.16100
PSA  68.95000 LogP  8.28520

基本信息 展开↓

CAS号:
136719-25-0
3D弹球模型:
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分子式:
C27H32ClNOS2
分子量:
486.13200
英文名称:
(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine,hydrochloride
英文别名:
(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine,hydrochloride;
NB-598 hydrochloride||NB598 hydrochloride;
(E)-N-ethyl-N-(6,6-dimethyl-2-heptyn-4-ynyl)-3-[(3,3'-bithiophen-5-yl)methoxy]benzenemethanamine hydrochloride;
CS-1275;
(E)-N-(6-6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[4-(3-thienyl)-2-thienyl-methyloxy]benzylamine hydrochloride;
(E)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[4-(thien-3-yl)-thien-2-yl-methyloxy]benzylamine hydrochloride;
NB598 hydrochloride
精确分子量/精确质量:
485.16100
极性分子表面积/PSA:
68.95000
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: WDXQLZXORYGXJN-WVLIHFOGSA-N

合成路线查看所有的合成路线

  • 123944-74-1

    Phenol, 3-[[(6,6-dimethyl-2-hepten-4-ynyl)ethylamino]methyl]-, (E)-

  • 136719-25-0

    (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine,hydrochloride

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  • 123944-74-1

    Phenol, 3-[[(6,6-dimethyl-2-hepten-4-ynyl)ethylamino]methyl]-, (E)-

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