烯丙尼定

烯丙尼定 基本信息
CAS号 33178-86-8 分子式 C12H13Cl2N3
分子量 270.15800 精确质量 　269.04900
PSA 　27.63000 LogP 　2.70940
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
33178-86-8
3D弹球模型：
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分子式：
C12H13Cl2N3
分子量：
270.15800
中文名称：
烯丙尼定
英文名称：
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
中文别名：
烯丙尼定;
烯苯胺咪
英文别名：
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine;
Alinidina [INN-Spanish];
2-[N-(2,6-dichloro-phenyl)-N-allyl-amino]-2-imidazoline;
ST-567;
Alinidin;
2-IMIDAZOLINE,2-(N-ALLYL-2,6-DICHLOROANILINO);
Alinidinum [INN-Latin];
2-(N-Allyl-N-(2,6-dichlorophenyl)amino)-2-imidazoline;
Alinidine;
allyl-(2,6-dichloro-phenyl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
精确分子量/精确质量：
269.04900
极性分子表面积/PSA：
27.63000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: OXTYVEUAQHPPMV-UHFFFAOYSA-N

物化性质展开↓

密度：
1.3g/cm3
沸点：
360.2ºC at 760mmHg
闪点：
171.7ºC
折射率：
1.611

合成路线查看所有的合成路线

  • 106-95-6

    3-溴丙烯

  • +

  • 4205-90-7

    可乐定

  • →

    ~55%

  • 33178-86-8

    烯丙尼定

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ1552500
CHEMICAL NAME :
2-Imidazoline, 2-(N-allyl-2,6-dichloroanilino)-
CAS REGISTRY NUMBER :
33178-86-8
BEILSTEIN REFERENCE NO. :
0961200
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C12-H13-Cl2-N3
MOLECULAR WEIGHT :
270.18

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
242 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8100 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
27500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
148 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
17400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 2,193,1984

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