棉胺宁

棉胺宁 基本信息
CAS号 57375-63-0 分子式 C19H22N2O4
分子量 342.38900 精确质量  342.15800
PSA  67.87000 LogP  4.74180

基本信息 展开↓

CAS号:
57375-63-0
3D弹球模型:
立即前往扯扯看
分子式:
C19H22N2O4
分子量:
342.38900
中文名称:
棉胺宁
英文名称:
phenisopham
中文别名:
棉胺宁;
敌克草
英文别名:
phenisopham;
3-(isopropoxycarbonylamino)phenyl N-ethylcarbanilate;
Phenisopham;
3-[[(1-methylethoxy)carbonyl]amino]phenyl N-ethyl-N-phenylcarbamate;
3-[(propan-2-yloxy)formamido]phenyl ethyl(phenyl)carbamate;
EINECS 260-706-1;
Verdinal;
[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate
精确分子量/精确质量:
342.15800
极性分子表面积/PSA:
67.87000
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。
EINECS:
260-706-1
InChI:
The Key: PWEOEHNGYFXZLI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.212g/cm3
沸点:
428.1ºC at 760mmHg
闪点:
212.7ºC
折射率:
1.601

合成路线查看所有的合成路线

  • 57375-52-7

    [3-(propan-2-yloxycarbonylamino)phenyl] carbonochloridate

  • +

  • 103-69-5

    N-乙基苯胺

  • 57375-63-0

    棉胺宁

化学图谱

  1. 棉胺宁质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FB0422000
CHEMICAL NAME :
Carbamic acid, ethylphenyl-, 3-(((1-methylethoxy)carbonyl)amino)phenyl ester
CAS REGISTRY NUMBER :
57375-63-0
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C19-H22-N2-O4
MOLECULAR WEIGHT :
342.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 8,651,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 8,651,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 8,651,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - duck
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 8,651,1987

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:100.36

2、  摩尔体积(cm3/mol):308.0

3、  等张比容(90.2K):806.4

4、  表面张力(dyne/cm):46.9

5、  极化率(10-24cm3):39.78

计算化学数据


1.疏水参数计算参考值(XlogP):4

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:2

6.拓扑分子极性表面积67.9

7.重原子数量:25

8.表面电荷:0

9.复杂度:435

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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  • 57375-52-7

    [3-(propan-2-yloxycarbonylamino)phenyl] carbonochloridate

  • 103-69-5

    N-乙基苯胺

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