阿嗪米特

阿嗪米特 基本信息
CAS号 1830-32-6 分子式 C10H14ClN3OS
分子量 259.75600 精确质量  259.05500
PSA  71.39000 LogP  2.09050

基本信息 展开↓

CAS号:
1830-32-6
分子式:
C10H14ClN3OS
分子量:
259.75600
中文名称:
阿嗪米特
英文名称:
2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide
中文别名:
阿嗪米特;
乙胺酰硫哒嗪 嗪硫酰胺
英文别名:
2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide;
Oragallin;
Oragallin purum;
Azintamide;
Azintamid;
Bilipurum;
Biloral;
Colerin;
Oragalin;
Oragal;
Azinthiamide
精确分子量/精确质量:
259.05500
极性分子表面积/PSA:
71.39000
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:
217-384-2

物化性质展开↓

密度:
1.27g/cm3
熔点:
97ºC
沸点:
435.3ºC at 760 mmHg
闪点:
217ºC
折射率:
1.573
蒸汽压:
8.88E-08mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB5836500
CHEMICAL NAME :
Acetamide, 2-((6-chloro-3-pyridazinyl)thio)-N,N-diethyl-
CAS REGISTRY NUMBER :
1830-32-6
BEILSTEIN REFERENCE NO. :
0885011
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H14-Cl-N3-O-S
MOLECULAR WEIGHT :
259.78
WISWESSER LINE NOTATION :
T6NNJ CG FS1VN2&2

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 :
1550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,266,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
540 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

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):1.9

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积:71.4

7.重原子数量:16

8.表面电荷:0

9.复杂度:226

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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