9,10-菲并1,12-二苯基环戊二烯酮

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • 海关数据
  • 结构与计算化学

9,10-菲并1,12-二苯基环戊二烯酮 基本信息

中文名称:
9,10-菲并1,12-二苯基环戊二烯酮 
中文别名:
二乙嗪 
英文名称:
10H-Phenothiazine-10-ethanamine,N,N-diethyl-
英文别名:
N,N-diethyl-2-phenothiazin-10-ylethanamine;
Fourneau 2987;
Diethazine [INN:BAN];
Lodibon;
Diethazine;
Dolisina;
Casantin [German];
Diaethazinum;
diethyl-(2-phenothiazin-10-yl-ethyl)-amine;
N,N-diethyl-10H-phenothiazine-10-ethanamine;
Diaethyl-(2-phenothiazin-10-yl-aethyl)-amin;
Eazamine;
Diethazinum [INN-Latin];
Dietazina [INN-Spanish];
10-[2-(diethylamino)ethyl]phenothiazine 
CAS No.:
60-91-3
分 子 式:
C18H22N2S
分 子 量:
298.452
精确分子量:
298.15000
PSA:
31.78000
InChI:
The Key: LURMIKVZJSMXQE-UHFFFAOYSA-N
安全术语:
S22; S24/25;
分子结构式:
SDS:
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9,10-菲并1,12-二苯基环戊二烯酮 物化性质

密度:
1.115g/cm3
沸点:
422.2ºC at 760 mmHg
闪点:
209.1ºC
折射率:
1.608

9,10-菲并1,12-二苯基环戊二烯酮 安全信息

海关代码:
2934300000

9,10-菲并1,12-二苯基环戊二烯酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SO4200000
CHEMICAL NAME :
Phenothiazine, 10-(2-(diethylamino)ethyl)-
CAS REGISTRY NUMBER :
60-91-3
LAST UPDATED :
199706
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C18-H22-N2-S
MOLECULAR WEIGHT :
298.48
WISWESSER LINE NOTATION :
T C666 BN ISJ B2N2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 103,371,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - rigidity (including catalepsy)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 134,255,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
225 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 :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HPPAAL Helvetica Physiologia et Pharmacologica Acta. (Basel, Switzerland) V.1-26, 1943-68. Discontinued. Volume(issue)/page/year: 16,277,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 120,450,1959

9,10-菲并1,12-二苯基环戊二烯酮 海关数据

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%

9,10-菲并1,12-二苯基环戊二烯酮 分子结构与计算化学数据

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:5

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:296

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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