3-叔-丁基异恶唑-5-胺

• 常用名: 3-叔-丁基异恶唑-5-胺
• 英文名: 3-Amino-5-tert-butylisoxazole
• CAS号: 59669-59-9
• 分子量: 140.183
• 密度: 1.0±0.1 g/cm3
• 沸点: 248.1±28.0 °C at 760 mmHg
• 分子式: C₇H₁₂N₂O
• 熔点: N/A
• 闪点: 103.9±24.0 °C

3-叔-丁基异恶唑-5-胺名称

• 中文名: 3-叔丁基异恶唑-5-胺
• 英文名: 3-tert-butyl-1,2-oxazol-5-amine
• 中文别名: 3-叔丁基异恶唑 | 5-氨基-3-叔丁基异噁唑 | 3-叔丁基异噁唑-5-胺

3-叔-丁基异恶唑-5-胺物理化学性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 248.1±28.0 °C at 760 mmHg
• 分子式: C₇H₁₂N₂O
• 分子量: 140.183
• 闪点: 103.9±24.0 °C
• 精确质量: 140.094955
• PSA: 52.05000
• LogP: 1.22
• InChIKey: APHNQOGPYLTSFX-UHFFFAOYSA-N
• SMILES: CC(C)(C)c1cc(N)on1
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.496
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：39.26

  2、 摩尔体积（cm³/mol）：134.4

  3、 等张比容（90.2K）：329.2

  4、 表面张力（dyne/cm）：36.0

  5、 极化率（10-24cm3）：15.56

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  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:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积52

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:119

  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

3-叔-丁基异恶唑-5-胺安全信息

• 海关编码: 2934999090

3-叔-丁基异恶唑-5-胺海关

• 海关编码: 2934999090
• 中文概述: 2934999090. 其他杂环化合物. 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
• Summary: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-叔-丁基异恶唑-5-胺靶点实验

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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

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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

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：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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3-叔-丁基异恶唑-5-胺英文别名

• 5-(2-Methyl-2-propanyl)-1,2-oxazol-3-amine
• 5-amino-3-tert-butylisoxazole
• 5-(2-Methyl-2-propanyl)-1,2-oxazol-3(2H)-imine
• 5-tert-Butyl-isoxazol-3-ylamine
• 5-tert-butyl-1,2-oxazol-3-amine
• 3-(tert-Butyl)isoxazol-5-amine
• 3-(2-Methyl-2-propanyl)-1,2-oxazol-5-amine
• 5-tert-Butyl-1,2-oxazol-3-amin
• 3-tert-Butyl-isoxazol-5-ylamine
• 3-tert-butyl-1,2-oxazol-5-amine
• 3-(1,1-dimethylethyl)-5-isoxazolamine
• 3-Amino-5-tert-butylisoxazole
• 5-amino-3-t-butylisoxazole
• 3-tert-butyl-5-isoxazolone
• 3-tert-butyl-5-amino isoxazole
• 3-(1,1-dimethylethyl)-5-aminoisoxazole
• F2124-0434