甲吡吩嗪

甲吡吩嗪 基本信息
CAS号 1982-37-2 分子式 C18H20N2S
分子量 296.43000 精确质量  296.13500
PSA  31.78000 LogP  4.24390

基本信息 展开↓

CAS号:
1982-37-2
分子式:
C18H20N2S
分子量:
296.43000
中文名称:
甲吡吩嗪
英文名称:
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
中文别名:
甲吡吩嗪;
盐酸甲吡
英文别名:
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine;
10-[(1-methyl-3-pyrrolidinyl)methyl]phenothiazine;
Tacazyl;
10-(1-methyl-pyrrolidin-3-ylmethyl)-phenothiazine;
10-(1-Methyl-pyrrolidin-3-ylmethyl)-phenothiazin;
10-<1-Methyl-pyrrolidinyl-(3)-methyl>-phenothiazin.;
methdilazine;
Methdilazinum;
Metodilazina;
Tacryl;
Methodilazine;
Methdilazinum [INN-Latin];
Disyncram;
Tacaryl;
Metodilazina [INN-Spanish];
10-(1-methyl-pyrrolidin-3-ylmethyl)-10H-phenothiazine
精确分子量/精确质量:
296.13500
极性分子表面积/PSA:
31.78000
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:
217-841-6

物化性质展开↓

密度:
1.185 g/cm3
熔点:
87-88℃
沸点:
430.4ºC at 760 mmHg
闪点:
214.1ºC

安全信息展开↓

海关代码:
2934300000

合成路线查看所有的合成路线

  • 92-84-2

    吩噻嗪

  • 1982-37-2

    甲吡吩嗪

  • 58689-43-3

    3-氯甲基-1-甲基吡咯烷

  • +

  • 92-84-2

    吩噻嗪

  • 1982-37-2

    甲吡吩嗪

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SP2975000
CHEMICAL NAME :
Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)-
CAS REGISTRY NUMBER :
1982-37-2
LAST UPDATED :
199510
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C18-H20-N2-S
MOLECULAR WEIGHT :
296.46
WISWESSER LINE NOTATION :
T C666 BN ISJ B1- CT5NTJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
4 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,379,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
162 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
225 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,29,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
183 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,29,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
263 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,29,1972

海关数据查看详细

中国海关编码:2934300000

概述:
2934300000. 含一个吩噻嗪环系的化合物(吩噻嗪环系不论是否氢化,化合物未经进一步稠合的 ). 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:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934300000. other compounds containing in the structure a phenothiazine ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:0

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:无

6.拓扑分子极性表面积:31.8

7.重原子数量:21

8.表面电荷:0

9.复杂度:339

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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