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双吗啉胺
- 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
双吗啉胺 基本信息
- 中文名称：
- 双吗啉胺
- 中文别名：
- 双吗啉胺;
- 英文名称：
- 4-Morpholinecarboxamide,N,N'-1,2-ethanediylbis[N-butyl-
- 英文别名：
- N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;
1064 TH;
N,N'-dibutyl-N,N'-ethanediyl-bis-morpholine-4-carboxamide;
Amipan T;
Prontodin;
dimorpholamine;
Theraptique;
Theraleptique;
Atmurin;
EINECS 204-328-7;
N,N'-Dibutyl-N,N'-aethandiyl-bis-morpholin-4-carbamid
- CAS No.：
- 119-48-2
- 分 子 式：
- C20H38N4O4
- 分 子 量：
- 398.62
- 精确分子量：
- 398.28900
- PSA：
- 65.56000
- EINECS：
- 204-328-7
- InChI：
- The Key: HZTMGWSBSDLALI-UHFFFAOYSA-N
- 安全术语：
- Poison by ingestion, intraperitoneal, intravenous, intramuscular, and subcutaneous routes. An analeptic agent (stimulant). When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
- 分子结构式：
-
- SDS：
- 查看
双吗啉胺 物化性质
- 密度：
- 1.114g/cm3
- 沸点：
- 571.3ºC at 760mmHg
- 闪点：
- 299.3ºC
- 折射率：
- 1.516
- 蒸汽压：
- 4.63E-13mmHg at 25°C
双吗啉胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QD9800000
- CHEMICAL NAME :
- 4-Morpholinecarboxamide, N,N'-ethylenebis(N-butyl-
- CAS REGISTRY NUMBER :
- 119-48-2
- BEILSTEIN REFERENCE NO. :
- 0052277
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C20-H38-N4-O4
- MOLECULAR WEIGHT :
- 398.62
- WISWESSER LINE NOTATION :
- T6N DOTJ AVN4&2N4&V- AT6N DOTJ
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 :
- 270 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: 6,347,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 190 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: 6,347,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 24 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: 6,347,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 122 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: 6,347,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 380 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - excitement
Lungs, Thorax, or Respiration - other changes
- 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: 163,133,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - excitement
Lungs, Thorax, or Respiration - respiratory stimulation
- 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: 163,133,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 104 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - excitement
Lungs, Thorax, or Respiration - respiratory stimulation
- 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: 163,133,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 42200 ug/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: 6,347,1982
双吗啉胺 海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 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：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
双吗啉胺 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：108.10
2、 摩尔体积（cm3/mol）：357.6
3、 等张比容（90.2K）：928.5
4、 表面张力（dyne/cm）：45.4
5、 极化率（10-24cm3）：42.85
计算化学数据
1.疏水参数计算参考值（XlogP）:1
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:9
5.互变异构体数量:无
6.拓扑分子极性表面积65.6
7.重原子数量:28
8.表面电荷:0
9.复杂度:423
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
