(4-乙酰基苯基)脲

(4-乙酰基苯基)脲 基本信息
CAS号 13143-02-7 分子式 C9H10N2O2
分子量 178.18800 精确质量  178.07400
PSA  72.19000 LogP  2.15310

基本信息 展开↓

CAS号:
13143-02-7
3D弹球模型:
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分子式:
C9H10N2O2
分子量:
178.18800
中文名称:
(4-乙酰基苯基)脲
英文名称:
(4-acetylphenyl)urea
中文别名:
(4-乙酰基苯基)脲;
N-(4-乙酰基苯基)脲;
bromo(4-methoxyphenyl)magnesium;
(4-methoxyphenyl)magnesium(1+) bromide;
4-methoxyphenylmagnesium bromide;
Cbz-D-glutamine;
Z-D-glutamine;
Nα-(Benzyloxycarbonyloxy) Succinimide;
Boc-L-Ile-OH;
Boc-L-isoleucine;
N-(tert-butoxycarbonyl)-L-isoleucine;
DIAMMONIUM MOLYBDATE;
Ammonium tetramolybdate;
diammonium dioxido(dioxo)molybdenum;
dihydroxy(dioxo)molybdenum diammoniate;
ammonium molybdate;
(17beta)-3-oxoandrosta-1,4-dien-17-yl undec-10-enoate;
BoldenoneUndecylenate;
Boldenone Undecylenate(Equipose);
Boldenone undecylenate;
copper(2+)ato(2-) carbonatato(2-) hydroxido(2-) (2:1:2);
copper dihydroxycopper carbonate;
Copper carbonate basic;
Copper(II) carbonate basic;
Fruitdo;
Milmer;
Milmer 1;
Oxine-copper;
Copper 8-quinolinolate;
copper(2+) 8-hydroxyoctahydro-2H-quinolin-1-ide 8-hydroxy-2H-quinolin-1-ide (1:1:1);
quinolin-8-ol - copper (2:1);
copper(2+) diquinolin-8-olate;
copper(2+) bis(8-hydroxyquinoline-2-carboxylate);
8-Quinolate;
8-hydroxyquinoline, copper(ii) salt
英文别名:
(4-acetylphenyl)urea;
(4-乙酰基苯基)脲;
bromo(4-methoxyphenyl)magnesium;
(4-methoxyphenyl)magnesium(1+) bromide;
4-methoxyphenylmagnesium bromide;
Cbz-D-glutamine;
Z-D-glutamine;
Nα-(Benzyloxycarbonyloxy) Succinimide;
Boc-L-Ile-OH;
Boc-L-isoleucine;
N-(tert-butoxycarbonyl)-L-isoleucine;
DIAMMONIUM MOLYBDATE;
Ammonium tetramolybdate;
diammonium dioxido(dioxo)molybdenum;
dihydroxy(dioxo)molybdenum diammoniate;
ammonium molybdate;
(17beta)-3-oxoandrosta-1,4-dien-17-yl undec-10-enoate;
BoldenoneUndecylenate;
Boldenone Undecylenate(Equipose);
Boldenone undecylenate;
copper(2+)ato(2-) carbonatato(2-) hydroxido(2-) (2:1:2);
copper dihydroxycopper carbonate;
Copper carbonate basic;
Copper(II) carbonate basic;
Fruitdo;
Milmer;
Milmer 1;
Oxine-copper;
Copper 8-quinolinolate;
copper(2+) 8-hydroxyoctahydro-2H-quinolin-1-ide 8-hydroxy-2H-quinolin-1-ide (1:1:1);
quinolin-8-ol - copper (2:1);
copper(2+) diquinolin-8-olate;
copper(2+) bis(8-hydroxyquinoline-2-carboxylate);
8-Quinolate;
8-hydroxyquinoline, copper(ii) salt
精确分子量/精确质量:
178.07400
极性分子表面积/PSA:
72.19000
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:
InChI=1/C9H10N2O2/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)

物化性质展开↓

密度:
1.261
沸点:
329.7ºC at 760mmHg
闪点:
153.2ºC
折射率:
1.617
蒸汽压:
0.000174mmHg at 25°C

安全信息展开↓

海关代码:
2924299090

合成路线查看所有的合成路线

  • 590-28-3

    氰酸钾

  • 13143-02-7

    (4-乙酰基苯基)脲

  • 64-10-8

    苯基脲

  • +

  • 75-36-5

    乙酰氯

  • 13143-02-7

    (4-乙酰基苯基)脲

海关数据查看详细

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:16

6.拓扑分子极性表面积72.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:208

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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  • 64-10-8

    苯基脲

  • 75-36-5

    乙酰氯

  • 590-28-3

    氰酸钾

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