cas号： 71-82-9 ，名称： 3-甲基-2-硝基苯甲酸甲酯的性质/作用/用途-化学加百科

3-甲基-2-硝基苯甲酸甲酯

3-甲基-2-硝基苯甲酸甲酯基本信息
CAS号	71-82-9	分子式	C19H25NO
分子量	283.40800	精确质量	283.19400
PSA	23.47000	LogP	3.57450

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等价的CAS号：

71-82-9,6814-59-1

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基本信息物化性质安全信息毒性结构与计算数据

基本信息展开↓

CAS号：: 71-82-9
3D弹球模型：: 立即前往扯扯看
分子式：: C19H25NO
分子量：: 283.40800
中文名称：: 3-甲基-2-硝基苯甲酸甲酯
英文名称：: l-Levallorphan tartrate
中文别名：: 3-甲基-2-硝基苯甲酸甲酯
英文别名：: l-Levallorphan tartrate;
Levallorphan hydrogen tartrate;
2H-10,4a-Iminoethanophenanthren-6-ol,11-allyl-1,3,4,9,10,10a-hexahydro-,tartrate;
Levallorphan tartrate;
17-(2-Propenyl)morphinan-3-ol tartrate;
Levallorphan (+)-tartrate salt;
Tartrate de levallorphane [French];
Morphinan-3-ol,17-allyl-,tartrate (1:1) (salt);
EINECS 200-767-3
精确分子量/精确质量：: 283.19400
极性分子表面积/PSA：: 23.47000
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: FWMLYVACGDQRFU-MBHUSPCXSA-N

物化性质展开↓

沸点：: 660.4ºC at 760 mmHg
闪点：: 353.2ºC

安全信息展开↓

WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: 22
RTECS号：: QD0480000
危险标志：: Xn

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QD0480000

CAS REGISTRY NUMBER :: 71-82-9

LAST UPDATED :: 199512

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C19-H25-N-O.C4-H6-O6

MOLECULAR WEIGHT :: 433.55

WISWESSER LINE NOTATION :: T6 G666/FQ 2AF Q FX ONT&TTJ IQ O2U1 &QVYQYQVQ

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 :: 850 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 870 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 350 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 168 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 42 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,904,1982

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:5

3.氢键受体数量:8

4.可旋转化学键数量:5

5.互变异构体数量:3

6.拓扑分子极性表面积:139

7.重原子数量:31

8.表面电荷:0

9.复杂度:542

10.同位素原子数量:0

11.确定原子立构中心数量:5

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:2