苯丙苄腈胺
- 中文名称：
- 苯丙苄腈胺
- 中文别名：
- 安非他尼;
苯丙胺苄氰
- 英文名称：
- Benzeneacetonitrile, a-[(1-methyl-2-phenylethyl)amino]-
- 英文别名：
- 2-phenyl-2-(1-phenylpropan-2-ylamino)acetonitrile;
dl-Amphetaminil;
Aponeuron;
Amfetaminilum [INN-Latin];
Amphetaminil;
Amfetaminilo [INN-Spanish];
amfetaminil;
AN 1;
AN 1 (pharmaceutical);
AN 1 (VAN);
(1-methyl-2-phenyl-ethylamino)-phenyl-acetonitrile
- CAS No.：
- 17590-01-1
- 分 子 式：
-
C17H18N2
- 分 子 量：
- 250.37
- 精确分子量：
- 250.14700
- PSA：
- 35.82000
- InChI：
- The Key: NFHVTCJKAHYEQN-UHFFFAOYSA-N3
- 安全术语：
- A poison by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.
- 分子结构式：
-
- SDS：
- 查看
苯丙苄腈胺 物化性质
- 密度：
- 1.061g/cm3
- 熔点：
- 81-85ºC
- 沸点：
- 405.2ºC at 760mmHg
- 闪点：
- 198.8ºC
- 折射率：
- 1.572
- 蒸汽压：
- 8.95E-07mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
苯丙苄腈胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AM1050000
- CHEMICAL NAME :
- Acetonitrile, ((alpha-methylphenethyl)amino)phenyl-
- CAS REGISTRY NUMBER :
- 17590-01-1
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C17-H18-N2
- MOLECULAR WEIGHT :
- 250.37
- WISWESSER LINE NOTATION :
- NCYR&MY1&1R
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 :
- 37600 ug/kg
- TOXIC EFFECTS :
- Cardiac - pulse rate increase, without fall in BP
Vascular - BP elevation not characterized in autonomic section
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 24,823,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 58800 ug/kg
- TOXIC EFFECTS :
- Cardiac - pulse rate increase, without fall in BP
Vascular - BP elevation not characterized in autonomic section
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 24,823,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 95100 ug/kg
- TOXIC EFFECTS :
- Cardiac - pulse rate increase, without fall in BP
Vascular - BP elevation not characterized in autonomic section
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 24,823,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 182 mg/kg
- TOXIC EFFECTS :
- Cardiac - pulse rate increase, without fall in BP
Vascular - BP elevation not characterized in autonomic section
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 24,823,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 491 mg/kg
- TOXIC EFFECTS :
- Cardiac - pulse rate increase, without fall in BP
Vascular - BP elevation not characterized in autonomic section
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 24,823,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 58 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,335,1972
苯丙苄腈胺 海关数据
中国海关编码：2926909090
- 概述：
- 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
苯丙苄腈胺 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）:3.7
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:35.8
7.重原子数量:19
8.表面电荷:0
9.复杂度:292
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
