芬乙嗪

芬乙嗪 基本信息
CAS号 522-24-7 分子式 C16H18N2S
分子量 270.39300 精确质量  270.11900
PSA  31.78000 LogP  3.91590

基本信息 展开↓

CAS号:
522-24-7
3D弹球模型:
立即前往扯扯看
分子式:
C16H18N2S
分子量:
270.39300
中文名称:
芬乙嗪
英文名称:
N,N-dimethyl-2-phenothiazin-10-ylethanamine
中文别名:
芬乙嗪
英文别名:
N,N-dimethyl-2-phenothiazin-10-ylethanamine;
Anergen;
Ethysene;
Phenetazine;
Phenethazinum;
Ethysine;
Ethyzine;
Fenethazine;
Anergell;
Phenethazine;
Ethizine
精确分子量/精确质量:
270.11900
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:
208-325-1
InChI:
The Key: PFAXACNYGZVKMX-UHFFFAOYSA-N

物化性质展开↓

密度:
1.153g/cm3
沸点:
396.1ºC at 760mmHg
闪点:
193.3ºC
折射率:
1.628

安全信息展开↓

海关代码:
2934300000

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SO5250000
CHEMICAL NAME :
Phenothiazine, 10-(2-(dimethylamino)ethyl)-
CAS REGISTRY NUMBER :
522-24-7
LAST UPDATED :
199506
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H18-N2-S
MOLECULAR WEIGHT :
270.42
WISWESSER LINE NOTATION :
T C666 BN ISJ B2N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
364 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,489,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 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: 4,171,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
190 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 31,53,1968

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:3

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:19

8.表面电荷:0

9.复杂度:273

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

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便