1-(3-甲基苯基)-1H-吡咯-2,5-二酮

• 常用名: 1-(3-甲基苯基)-1H-吡咯-2,5-二酮
• 英文名: 1H-Pyrrole-2,5-dione,1-(3-methylphenyl)
• CAS号: 20299-79-0
• 分子量: 187.19500
• 密度: 1.277g/cm3
• 沸点: 333.5ºC at 760mmHg
• 分子式: C₁₁H₉NO₂
• 熔点: N/A
• 闪点: N/A

1-(3-甲基苯基)-1H-吡咯-2,5-二酮名称

• 中文名: 1-(3-甲基苯基)-1H-吡咯-2,5-二酮
• 英文名: 1-(3-methylphenyl)pyrrole-2,5-dione

1-(3-甲基苯基)-1H-吡咯-2,5-二酮物理化学性质

• 密度: 1.277g/cm3
• 沸点: 333.5ºC at 760mmHg
• 分子式: C₁₁H₉NO₂
• 分子量: 187.19500
• 精确质量: 187.06300
• PSA: 37.38000
• LogP: 1.48940
• InChIKey: PRZFFHNZHXGTRC-UHFFFAOYSA-N
• SMILES: Cc1cccc(N2C(=O)C=CC2=O)c1
• 蒸汽压: 0.000136mmHg at 25°C
• 折射率: 1.615
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积37.4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:278

  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

1-(3-甲基苯基)-1H-吡咯-2,5-二酮安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2925190090

1-(3-甲基苯基)-1H-吡咯-2,5-二酮海关

• 海关编码: 2925190090
• 中文概述: 2925190090 其他酰亚胺及其衍生物盐. 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
• Summary: 2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1-(3-甲基苯基)-1H-吡咯-2,5-二酮靶点实验

查看更多实验

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：uHTS identification of small molecule modulators of NR3A 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：SBCCG-A1015-NR3A-Primary-Assay

实验名称：uHTS identification of small molecule modulators of Rev-erb Alpha. 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：SBCCG-A1016-RevErbaLBD-Primary-Assay

共101条，当前第1页，共11页

1

2

3

4

5

1-(3-甲基苯基)-1H-吡咯-2,5-二酮英文别名

• N-m-tolyl-maleimide
• N-m-Tolyl-maleinimid