2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺
- 中文名称：
- 2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺
- 中文别名：
- 2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺
- 英文名称：
- Benzenamine,4-[(1E)-2-(2,5-dimethoxyphenyl)ethenyl]-
- 英文别名：
- 25DIMETHOXY4AMINOSTILBENE;
4-amino-2,5-dimethoxybenzene-1-sulfonamide;
2,5-dimethoxysulfanilamide;
2,5-dimethoxy-4'-amino-trans-stilbene;
trans-2,5-Dimethoxy-4'-aminostilben;
Sulfanilamide,2,5-dimethoxy;
4-Amino-2,5-dimethoxy-benzolsulfonamid;
4-amino-2',5'-dimethoxystilbene
- CAS No.：
- 23435-31-6
- 分 子 式：
-
C16H17NO2
- 分 子 量：
- 255.34
- 精确分子量：
- 255.12600
- PSA：
- 44.48000
- InChI：
- The Key: OZGXSMOLBWHIQA-ZZXKWVIFSA-N3
- 安全术语：
- Suspected carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式：
-
- SDS：
- 查看
2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺 物化性质
- 密度：
- 1.145g/cm3
- 沸点：
- 441.6ºC at 760mmHg
- 闪点：
- 244.3ºC
- 折射率：
- 1.649
- 蒸汽压：
- 9.21E-08mmHg at 25°C
2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺 安全信息
2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- WJ3833000
- CHEMICAL NAME :
- Stilbenamine, 2',5'-dimethoxy-
- CAS REGISTRY NUMBER :
- 23435-31-6
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C16-H17-N-O2
- MOLECULAR WEIGHT :
- 255.34
- WISWESSER LINE NOTATION :
- ZR D1U1R BO1 EO1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2360 mg/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Sense Organs and Special Senses (Ear) - effect, not otherwise specified
Gastrointestinal - tumors
- REFERENCE :
- JEPTDQ Journal of Environmental Pathology and Toxicology. (Park Forest
South, IL) V.1-5(3), 1977-81(?). For publisher information, see JEPOEC.
Volume(issue)/page/year: 2(2),325,1978
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 130 gm/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Liver - tumors
- REFERENCE :
- JEPTDQ Journal of Environmental Pathology and Toxicology. (Park Forest
South, IL) V.1-5(3), 1977-81(?). For publisher information, see JEPOEC.
Volume(issue)/page/year: 2(2),325,1978
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4725 mg/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Sense Organs and Special Senses (Ear) - effect, not otherwise specified
Gastrointestinal - tumors
- REFERENCE :
- JEPTDQ Journal of Environmental Pathology and Toxicology. (Park Forest
South, IL) V.1-5(3), 1977-81(?). For publisher information, see JEPOEC.
Volume(issue)/page/year: 2(2),325,1978
2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺 海关数据
中国海关编码：2922199090
- 概述：
- 2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 增值税率:17.0%. 退税率:13.0%. 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：
- 2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2,5-二甲氧基-4-[(E)-2-苯基乙烯基]苯胺 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）:3.5
2.氢键供体数量:1
3.氢键受体数量:3
4.可旋转化学键数量:4
5.互变异构体数量:2
6.拓扑分子极性表面积:44.5
7.重原子数量:19
8.表面电荷:0
9.复杂度:285
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
