去甲苯福林

去甲苯福林 基本信息
CAS号 536-21-0 分子式 C8H11NO2
分子量 153.17800 精确质量 　153.07900
PSA 　66.48000 LogP 　1.08460
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目录
基本信息 物化性质 合成路线 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
536-21-0
3D弹球模型：
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分子式：
C8H11NO2
分子量：
153.17800
中文名称：
去甲苯福林
英文名称：
Norfenefrine
中文别名：
去甲苯福林;
1-(间羟基苯基)-2-氨基乙醇
英文别名：
Norfenefrine;
Benzenemethanol, α-(aminomethyl)-3-hydroxy-;
Benzyl alcohol, α-(aminomethyl)-m-hydroxy-;
α-(Aminomethyl)-m-hydroxybenzyl alcohol;
1-(m-Hydroxyphenyl)-2-aminoethanol;
1-(3'-Hydroxyphenyl)-2-aminoethanol;
m-Hydroxyphenylethanolamine;
1-(3-Hydroxyphenyl)-1-hydroxy-2-aminoethane;
Metacardiol;
Norenol;
Normetol;
Norphenylephrine;
m-Octopamine;
Benzyl alcohol, alpha-(aminomethyl)-m-hydroxy-;
(.+/-.)-Norfenefrine;
DL-Norphenylephrine;
R,S-Norphenylephrine;
Norphenephrine
精确分子量/精确质量：
153.07900
极性分子表面积/PSA：
66.48000
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：
208-626-8
InChI：
The Key: LRCXRAABFLIVAI-UHFFFAOYSA-N

物化性质展开↓

密度：
1.249g/cm3
沸点：
360.7ºC at 760mmHg
闪点：
172ºC
折射率：
1.614
存储条件/存储方法：
库房通风低温干燥

合成路线查看所有的合成路线

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    1-[3-(苯甲酰氧)苯基]-2-溴乙酮

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    去甲苯福林

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DN7250000
CHEMICAL NAME :
Benzyl alcohol, alpha-(aminomethyl)-m-hydroxy-
CAS REGISTRY NUMBER :
536-21-0
BEILSTEIN REFERENCE NO. :
1211018
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C8-H11-N-O2
MOLECULAR WEIGHT :
153.20
WISWESSER LINE NOTATION :
Z1YQR CQ

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 :
390 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,217,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,217,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28100 ug/kg
TOXIC EFFECTS :
Endocrine - hyperglycemia Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,60,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,217,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
263 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,295,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
198 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,295,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
459 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,295,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4900 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,295,1970 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
810 mg/kg/90D-C
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - other changes Related to Chronic Data - death
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,60,1968

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:3

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积:66.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:119

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:1

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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