Benzoic acid,4-[bis(2-chloroethyl)amino]

• 常用名: Benzoic acid,4-[bis(2-chloroethyl)amino]
• 英文名: Benzoic acid,4-[bis(2-chloroethyl)amino]
• CAS号: 1141-37-3
• 分子量: 262.13200
• 密度: 1.339g/cm3
• 沸点: 426.6ºC at 760mmHg
• 分子式: C₁₁H₁₃Cl₂NO₂
• 熔点: N/A
• 闪点: 211.8ºC

Benzoic acid,4-[bis(2-chloroethyl)amino]名称

• 英文名: 4-[bis(2-chloroethyl)amino]benzoic acid

Benzoic acid,4-[bis(2-chloroethyl)amino]物理化学性质

• 密度: 1.339g/cm3
• 沸点: 426.6ºC at 760mmHg
• 分子式: C₁₁H₁₃Cl₂NO₂
• 分子量: 262.13200
• 闪点: 211.8ºC
• 精确质量: 261.03200
• PSA: 40.54000
• LogP: 2.66880
• InChIKey: PCLQMXVMRDPVKX-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(N(CCCl)CCCl)cc1
• 蒸汽压: 4.9E-08mmHg at 25°C
• 折射率: 1.594
• 储存条件:

  库房通风低温干燥; 与食品原料分开存放。

• 稳定性:

  1.有毒，可燃， 燃烧产生有毒氮氧化物和氯化物烟雾。

• 计算化学:

  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:3

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积40.5

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:212

  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

• 更多:

  1.密度（g/cm3）：1.339

  2.沸点（760 mmHg,ºC）：426.6

  3.闪点（ºC）：211.8

Benzoic acid,4-[bis(2-chloroethyl)amino]毒性和生态

Benzoic acid,4-[bis(2-chloroethyl)amino]毒理学数据:

腹腔-大鼠 LD50: 96 毫克/公斤; 腹腔-小鼠 LD50: 87 毫克/公斤

Benzoic acid,4-[bis(2-chloroethyl)amino]安全信息

• 海关编码: 2922499990

Benzoic acid,4-[bis(2-chloroethyl)amino]海关

• 海关编码: 2922499990
• 中文概述: 2922499990 其他氨基酸及其酯及它们的盐（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:AB(入境货物通关单,出境货物通关单) 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
• 监管条件: A.入境货物通关单 B.出境货物通关单
• 检验检疫: P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
• Summary: HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

Benzoic acid,4-[bis(2-chloroethyl)amino]靶点实验

查看更多实验

实验名称：The activity in vitro on L1210 murine leukemia cells, activity expressed as IC50 来源：ChEMBL 靶标：L1210 External Id：CHEMBL708785

实验名称：Antitumor activity against mouse B16F10 cells xenografted in C57BL/6 mouse assessed a... 来源：ChEMBL 靶标：B16-F10 External Id：CHEMBL3102429

实验名称：The compound was tested for cytotoxicity against human JAR, choriocarcinoma cell line... 来源：ChEMBL 靶标：JAR External Id：CHEMBL696553

实验名称：Median survival time of treated mice / Median survival time of controls x100 was meas... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL724836

实验名称：Cytotoxicity against human MCF-10A cells assessed as inhibition of cell proliferation... 来源：ChEMBL 靶标：MCF-10A External Id：CHEMBL4837051

实验名称：The compound was tested for cytotoxicity against human LS174T,colorectal cell line. 来源：ChEMBL 靶标：LS174T External Id：CHEMBL706493

实验名称：Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of c... 来源：ChEMBL 靶标：MDA-MB-231 External Id：CHEMBL4837050

实验名称：Antiproliferative activity against human MCF7 cells assessed as inhibition of cell pr... 来源：ChEMBL 靶标：MCF7 External Id：CHEMBL4837049

实验名称：Cytotoxicity against human L02 cells by MTT assay 来源：ChEMBL 靶标：N/A External Id：CHEMBL3364075

实验名称：Chemical half-life in percholate at 37 degree was determined 来源：ChEMBL 靶标：N/A External Id：CHEMBL633946

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Benzoic acid,4-[bis(2-chloroethyl)amino]英文别名

• Benzoic acid nitrogen mustard