4-正丁氨基-苯并吡喃-2-酮

• 常用名: 4-正丁氨基-苯并吡喃-2-酮
• 英文名: 4-Butylamino-chromen-2-one
• CAS号: 21315-46-8
• 分子量: 217.26400
• 密度: 1.14 g/cm3
• 沸点: 377.9ºC at 760 mmHg
• 分子式: C₁₃H₁₅NO₂
• 熔点: N/A
• 闪点: 182.3ºC

4-正丁氨基-苯并吡喃-2-酮名称

• 中文名: 4-正丁氨基-苯并吡喃-2-酮
• 英文名: 4-(butylamino)chromen-2-one
• 中文别名: 4-(丁基氨基)-2H-色烯-2-酮

4-正丁氨基-苯并吡喃-2-酮物理化学性质

• 密度: 1.14 g/cm3
• 沸点: 377.9ºC at 760 mmHg
• 分子式: C₁₃H₁₅NO₂
• 分子量: 217.26400
• 闪点: 182.3ºC
• 精确质量: 217.11000
• PSA: 42.24000
• LogP: 3.07800
• InChIKey: YPFALCOQVSMNOG-UHFFFAOYSA-N
• SMILES: CCCCNc1cc(=O)oc2ccccc12
• 分子结构:

  1、 摩尔折射率：62.30

  2、 摩尔体积（cm³/mol）：190.1

  3、 等张比容（90.2K）：490.4

  4、 表面张力（dyne/cm）：44.3

  5、 极化率（10-24cm3）：24.69

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  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:3

  6.拓扑分子极性表面积38.3

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:286

  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

4-正丁氨基-苯并吡喃-2-酮安全信息

• 风险声明 (欧洲): 22-36/37/38
• 安全声明 (欧洲): 26-36

4-正丁氨基-苯并吡喃-2-酮靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

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：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

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：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：Absorbance-based primary biochemical high throughput screening assay to identify acti... 来源：The Scripps Research Institute Molecular Screening Center 靶标：caspase-3 preproprotein [Homo sapiens] External Id：PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN

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4-正丁氨基-苯并吡喃-2-酮英文别名

• 4-butylaminocoumarin
• MFCD00454991
• 4-Butylamino-chromen-2-one
• HMS2354H04