2-(4-甲基哌嗪-1-基)噻唑-5-甲醛

• 常用名: 2-(4-甲基哌嗪-1-基)噻唑-5-甲醛
• 英文名: 2-(4-Methylpiperazino)-1,3-thiazole-5-carbaldehyde
• CAS号: 320423-50-5
• 分子量: 211.28400
• 密度: 1.296g/cm3
• 沸点: 367.4ºC at 760mmHg
• 分子式: C₉H₁₃N₃OS
• 熔点: 73-75ºC
• 闪点: 176ºC

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛名称

• 中文名: 2-(4-甲基哌嗪-1-基)噻唑-5-甲醛
• 英文名: 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
• 中文别名: 2-(4-甲基-1-哌嗪基)噻唑-5-甲醛

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛物理化学性质

• 密度: 1.296g/cm3
• 沸点: 367.4ºC at 760mmHg
• 熔点: 73-75ºC
• 分子式: C₉H₁₃N₃OS
• 分子量: 211.28400
• 闪点: 176ºC
• 精确质量: 211.07800
• PSA: 64.68000
• LogP: 0.71030
• InChIKey: TUJAFVJUJXMFEG-UHFFFAOYSA-N
• SMILES: CN1CCN(c2ncc(C=O)s2)CC1
• 折射率: 1.61
• 储存条件:

  保存方法：密闭，阴凉，通风干燥处

• 稳定性:

  避氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1

  2.氢键供体数量:0

  3.氢键受体数量:5

  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64.7

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:206

  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

• 更多:

  1. 性状：块状

  2. 密度（g/mL25 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC12mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛毒性和生态

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛生态学数据:

1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛安全信息

• 海关编码: 2934100090

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛海关

• 海关编码: 2934100090
• 中文概述: 2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 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:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-(4-甲基哌嗪-1-基)噻唑-5-甲醛靶点实验

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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

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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：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

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2-(4-甲基哌嗪-1-基)噻唑-5-甲醛英文别名

• 2-(4-methylpiperazino)-1,3-thiazole-5-carbaldehyde
• 2-(4-methylpiperazin-1-yl)thiazole-5-carboxaldehyde
• 2-(2-PYRIDYLAZO)-5-DIMETHYLAMINOPHENOL [FOR DETERMINATION OF ZINC IN SERUM]
• 2-(2-PYRIDYLAZO)-5-DIMETHYLAMINOPHENOL
• 2-(4-methylpiperazinyl)-1,3-thiazole-5-carbaldehyde