盐酸安非拉酮
- 中文名称：
- 盐酸安非拉酮
- 中文别名：
- 盐酸安非拉酮;
安非拉酮盐酸盐;
2-(二乙基氨基)-1-苯基-1-丙酮盐酸盐
- 英文名称：
- Amfepramone hydrochloride
- 英文别名：
- diethylpropion hydrochloride;
Diethylpropion Hydrochloride;
2-(diethylamino)-1-phenylpropan-1-one,hydrochloride
- CAS No.：
- 134-80-5
- 分 子 式：
-
C13H20ClNO
- 分 子 量：
- 241.76
- 精确分子量：
- 241.12300
- PSA：
- 20.31000
- EINECS：
- 205-156-5
- InChI：
- The Key: ICFXZZFWRWNZMA-UHFFFAOYSA-N3
- 风险术语：
- 11-23/24/25-39/23/24/25-20/21/22
- SDS：
- 查看
盐酸安非拉酮 物化性质
- 密度：
- 0.972g/cm3
- 熔点：
- 180-181ºC
- 沸点：
- 292ºC at 760mmHg
- 闪点：
- 95.4ºC
- 蒸汽压：
- 0.00189mmHg at 25°C
盐酸安非拉酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UH0360000
- CHEMICAL NAME :
- Propiophenone, 2-(diethylamino)-, hydrochloride
- CAS REGISTRY NUMBER :
- 134-80-5
- LAST UPDATED :
- 199606
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C13-H19-N-O.Cl-H
- MOLECULAR WEIGHT :
- 241.79
- WISWESSER LINE NOTATION :
- 2N2&Y1&VR &GH
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 :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 17,373,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 139 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
17,121,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 385 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 17,373,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 17,373,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 450 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
Behavioral - excitement
Skin and Appendages - hair
- REFERENCE :
- APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska
Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964-
Volume(issue)/page/year: 4,37,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
17,182,1960
盐酸安非拉酮 海关数据
中国海关编码：2922399090
- 概述：
- 2922399090 其他氨基醛、氨基酮及其盐（包括氨基醌及其盐，但含有一种以上含氧基的除外）. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
- 摘要/Summary：
- 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
盐酸安非拉酮 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：63.12
2、 摩尔体积（cm3/mol）：211.1
3、 等张比容（90.2K）：514.4
4、 表面张力（dyne/cm）：35.2
5、 极化率（10-24cm3）：25.02
计算化学数据
1.疏水参数计算参考值（XlogP）:无
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:2
6.拓扑分子极性表面积20.3
7.重原子数量:16
8.表面电荷:0
9.复杂度:193
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:1
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:2