苯甲吗啉
- 中文名称：
- 苯甲吗啉
- 中文别名：
- 芬美曲秦;
苯甲吗啉
- 英文名称：
- PHENMETRAZINE
- 英文别名：
- phenmetrazine;
3-methyl-2-phenylmorpholine;
2-phenyl-3-methyl-morpholine;
Oxazimedrine;
2-methyl-3-phenylmorpholine;
Phenmetrazine;
3-Methyl-2-phenyl-morpholin;
Defenmetrazin;
Probese-P;
3-methyl-2-phenyl-morpholine;
Phenmetrazin;
Fenmetrazin;
Psychamine A 66;
Fenmetrazina
- CAS No.：
- 134-49-6
- 分 子 式：
-
C11H15NO
- 分 子 量：
- 177.24
- 精确分子量：
- 177.11500
- PSA：
- 21.26000
- EINECS：
- 205-143-4
- InChI：
- The Key: OOBHFESNSZDWIU-UHFFFAOYSA-N3
- SDS：
- 查看
苯甲吗啉 物化性质
- 密度：
- 0.997g/cm3
- 沸点：
- 285.2ºC at 760mmHg
- 闪点：
- 112.7ºC
苯甲吗啉 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QE6475000
- CHEMICAL NAME :
- Morpholine, 3-methyl-2-phenyl-
- CAS REGISTRY NUMBER :
- 134-49-6
- BEILSTEIN REFERENCE NO. :
- 0140490
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C11-H15-N-O
- MOLECULAR WEIGHT :
- 177.27
- WISWESSER LINE NOTATION :
- T6M DOTJ B1 CR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 2857 ug/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - sympathomimetic
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 34,205,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 370 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: 23,810,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 125 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: 23,810,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - effect, not otherwise specified
Behavioral - excitement
Behavioral - irritability
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 21,1727,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 195 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 222,540,1954
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1050 mg/kg/7W-I
- TOXIC EFFECTS :
- Vascular - BP lowering not characterized in autonomic section
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,2096,1972
*** REVIEWS ***
TOXICOLOGY REVIEW
ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For
publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966
苯甲吗啉 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：52.55
2、 摩尔体积（cm3/mol）：177.7
3、 等张比容（90.2K）：430.3
4、 表面张力（dyne/cm）：34.3
5、 极化率（10-24cm3）：20.83
计算化学数据
1.疏水参数计算参考值（XlogP）:1.4
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积21.3
7.重原子数量:13
8.表面电荷:0
9.复杂度:154
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:2
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