丁二酸单苄酯

• 常用名: 丁二酸单苄酯
• 英文名: benzyl hydrogen succinate
• CAS号: 103-40-2
• 分子量: 208.21100
• 密度: 1.225g/cm3
• 沸点: 368.5ºC at 760mmHg
• 分子式: C₁₁H₁₂O₄
• 熔点: N/A
• 闪点: 144.5ºC

丁二酸单苄酯名称

• 中文名: 琥珀酸苄酯
• 英文名: 4-(Benzyloxy)-4-oxobutanoic acid
• 中文别名: 丁二酸单苄酯

丁二酸单苄酯物理化学性质

• 密度: 1.225g/cm3
• 沸点: 368.5ºC at 760mmHg
• 分子式: C₁₁H₁₂O₄
• 分子量: 208.21100
• 闪点: 144.5ºC
• 精确质量: 208.07400
• PSA: 63.60000
• LogP: 1.59460
• InChIKey: UGUBQKZSNQWWEV-UHFFFAOYSA-N
• SMILES: O=C(O)CCC(=O)OCc1ccccc1
• 蒸汽压: 4.41E-06mmHg at 25°C
• 折射率: 1.536
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：53.04

  2、 摩尔体积（cm³/mol）：169.8

  3、 等张比容（90.2K）：449.7

  4、 表面张力（dyne/cm）：49.1

  5、 极化率（10-24cm3）：21.02

• 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:4

  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63.6

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:219

  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

丁二酸单苄酯安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2918990090

丁二酸单苄酯海关

• 海关编码: 2918990090
• 中文概述: 2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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
• Summary: 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

丁二酸单苄酯靶点实验

查看更多实验

实验名称：Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50 External Id：HMS1262

实验名称：qHTS assay for inhibitors of human lactate dehydrogenase 来源：NCGC 靶标：N/A External Id：LDHA

实验名称：Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ... 来源：NCGC External Id：stopgo-p2-SytraCBC-dual-FF

实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ... 来源：NCGC External Id：stopgo-p2-SytraCBC-dual-Ren

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

实验名称：Binding affinity against Carboxypeptidase A 来源：ChEMBL 靶标：Mast cell carboxypeptidase A External Id：CHEMBL655447

实验名称：A screen for compounds that inhibit viral RNA polymerase binding and polymerization a... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：Chain A, Poliovirus Polymerase With Gtp External Id：HMS750

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丁二酸单苄酯英文别名

• EINECS 203-108-8
• 4-oxo-4-phenylmethoxybutanoic acid