1H-Imidazole-2-methanamine,4,5-dihydro-N-phenyl-N-(phenylmethyl)-
- 中文别名：安他唑啉
- 中文释义：安他唑啉;N-苄基-N-(4,5-二氢-1H-咪唑-2-基甲基)苯胺;盐酸安太林
- 英文别名：antazoline;
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;
Antistin;
Antasten;
Histostab;
benzyl-(4,5-dihydro-1H-imidazol-2-ylmethyl)-phenyl-amine;
Antistine;
N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-anilin;
Antastan;
Phenazoline;
Phenazolin;
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenylamine;
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-aniline;
Imidamine;
Antihistal
- CAS No.：91-75-8
- 分子式：
C17H19N3
- 分子量：265.36
- 精确分子量：265.15800
- PSA：27.63000
- InChI：The Key: REYFJDPCWQRWAA-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 晶体,无气味的
- 密度：
- 1.188 g/cm3
- 熔点：
- 159ºC
- 沸点：
- 210 - 220 (0.7 torr)
- 闪点：
- 241.4ºC
- 其它信息：
1.性状：晶体。
2.熔点（℃）：120-122。
安全信息
- 外观与性状：
- 晶体,无气味的
- 密度：
- 1.188 g/cm3
- 熔点：
- 159ºC
- 沸点：
- 210 - 220 (0.7 torr)
- 闪点：
- 241.4ºC
- 其它信息：
1.性状：晶体。
2.熔点（℃）：120-122。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ2000000
- CHEMICAL NAME :
- 2-Imidazoline, 2-((N-benzylanilino)methyl)-
- CAS REGISTRY NUMBER :
- 91-75-8
- BEILSTEIN REFERENCE NO. :
- 0233924
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C17-H19-N3
- MOLECULAR WEIGHT :
- 265.39
- WISWESSER LINE NOTATION :
- T5M CN BUTJ B1N1R&R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- OPHTAD Ophtalmologica. (S. Karger Pub., Inc., 79 Fifth Ave., New York, NY 10003) V.96- 1978- Volume(issue)/page/year: 143,154,1962 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 398 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: 7,237,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 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: 237,171,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 135 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: 17,214,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 61 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: 188,189,1970 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3378 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 5 (estimated)
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：83.31
2、 摩尔体积（cm3/mol）：240.9
3、 等张比容（90.2K）：619.9
4、 表面张力（dyne/cm）：43.8
5、 极化率（10-24cm3）：33.02
计算化学数据
1.疏水参数计算参考值（XlogP）:2.6
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:5
5.互变异构体数量:无
6.拓扑分子极性表面积27.6
7.重原子数量:20
8.表面电荷:0
9.复杂度:314
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
