4-羟基-6-甲基-2-苯基喹啉

• 常用名: 4-羟基-6-甲基-2-苯基喹啉
• 英文名: 4-HYDROXY-6-METHYL-2-PHENYLQUINOLINE
• CAS号: 1148-49-8
• 分子量: 235.28100
• 密度: 1.173g/cm3
• 沸点: 408.5ºC at 760 mmHg
• 分子式: C₁₆H₁₃NO
• 熔点: N/A
• 闪点: 162.8ºC
• 符号: GHS05, GHS07
• 信号词: Danger

4-羟基-6-甲基-2-苯基喹啉名称

• 中文名: 4-羟基-6-甲基-2-苯基喹啉
• 英文名: 6-methyl-2-phenyl-1H-quinolin-4-one

4-羟基-6-甲基-2-苯基喹啉物理化学性质

• 密度: 1.173g/cm3
• 沸点: 408.5ºC at 760 mmHg
• 分子式: C₁₆H₁₃NO
• 分子量: 235.28100
• 闪点: 162.8ºC
• 精确质量: 235.10000
• PSA: 33.12000
• LogP: 3.91580
• InChIKey: SWRQHHJAXCNFGU-UHFFFAOYSA-N
• SMILES: Cc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
• 蒸汽压: 6.97E-07mmHg at 25°C
• 折射率: 1.623
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：73.48

  2、 摩尔体积（cm³/mol）：196.7

  3、 等张比容（90.2K）：531.2

  4、 表面张力（dyne/cm）：53.1

  5、 极化率（10-24cm3）：29.13

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.6

  2.氢键供体数量:1

  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:3

  6.拓扑分子极性表面积29.1

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:354

  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-羟基-6-甲基-2-苯基喹啉安全信息

• 符号: GHS05, GHS07
• 信号词: Danger
• 危害声明: H302-H318-H413
• 警示性声明: P280-P305 + P351 + P338
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36/37
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933499090

4-羟基-6-甲基-2-苯基喹啉海关

• 海关编码: 2933499090
• 中文概述: 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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: 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-羟基-6-甲基-2-苯基喹啉靶点实验

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：NCATS Kinetic Aqueous Solubility Profiling 来源：NCGC 靶标：N/A External Id：ADME-solubility1

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：Cytotoxicity in vitro expressed as 50% reduction in cell number after a 3-day incubat... 来源：ChEMBL 靶标：L1210 (1565) External Id：CHEMBL702591

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：NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling 来源：NCGC 靶标：N/A External Id：ADME-PAMPA1

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4-羟基-6-甲基-2-苯基喹啉英文别名

• 6-methyl-2-phenylquinolin-4-ol
• 6-Methyl-2-phenyl-chinolin-4-ol
• 4-Hydroxy-6-methyl-2-phenylquinoline
• 2-Phenyl-6-methyl-4-hydroxychinolin
• 4-Hydroxy-6-methyl-2-phenyl-chinolin
• 2-Phenyl-4-hydroxy-6-methyl-chinolin
• 6-Methyl-2-phenyl-4-hydroxychinolin