1-甲基-2-苯基吲哚-3-甲醛

• 常用名: 1-甲基-2-苯基吲哚-3-甲醛
• 英文名: Methyl-2-phenyl -3-formylindole
• CAS号: 1757-72-8
• 分子量: 235.281
• 密度: 1.1±0.1 g/cm3
• 沸点: 447.4±33.0 °C at 760 mmHg
• 分子式: C₁₆H₁₃NO
• 熔点: N/A
• 闪点: 224.4±25.4 °C

1-甲基-2-苯基吲哚-3-甲醛名称

• 中文名: 1-甲基-2-苯基吲哚-3-甲醛
• 英文名: 1-Methyl-2-phenyl-1H-indole-3-carbaldehyde

1-甲基-2-苯基吲哚-3-甲醛物理化学性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 447.4±33.0 °C at 760 mmHg
• 分子式: C₁₆H₁₃NO
• 分子量: 235.281
• 闪点: 224.4±25.4 °C
• 精确质量: 235.099716
• PSA: 22.00000
• LogP: 3.57
• InChIKey: YJOWMBICANYBLV-UHFFFAOYSA-N
• SMILES: Cn1c(-c2ccccc2)c(C=O)c2ccccc21
• 外观性状: 黄色结晶粉末
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.608
• 储存条件: 室温，密闭
• 分子结构:

  1、 摩尔折射率：73.25

  2、 摩尔体积（cm³/mol）：211.8

  3、 等张比容（90.2K）：539.9

  4、 表面张力（dyne/cm）：42.2

  5、 极化率（10-24cm3）：29.04

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积22

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:298

  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-甲基-2-苯基吲哚-3-甲醛安全信息

• 危害码 (欧洲): Xn
• 海关编码: 2933990090

1-甲基-2-苯基吲哚-3-甲醛海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-甲基-2-苯基吲哚-3-甲醛靶点实验

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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：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

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1-甲基-2-苯基吲哚-3-甲醛英文别名

• MFCD00186065
• EINECS 217-149-4
• 1-methyl-2-phenylindole-3-carbaldehyde
• Methyl-2-phenyl -3-formylindole
• 1-Methyl-2-phenyl-1H-indole-3-carbaldehyde
• 1-Methyl-2-Phenylindole-3-Carboxaldehyde