9,10-菲并1,12-二苯基环戊二烯酮
- 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-N3
- 安全术语：
- S22; S24/25;
- 分子结构式：
-
- SDS：
- 查看
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
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
