间三氟甲基马尿酸

• 常用名: 间三氟甲基马尿酸
• 英文名: 2-[3-(Trifluoromethyl)benzoyl]aminoacetic acid
• CAS号: 17794-48-8
• 分子量: 247.17100
• 密度: 1.417g/cm3
• 沸点: 401.7ºC at 760mmHg
• 分子式: C₁₀H₈F₃NO₃
• 熔点: 134-138ºC
• 闪点: 196.7ºC

间三氟甲基马尿酸名称

• 中文名: 间三氟甲基马尿酸
• 英文名: 2-[[3-(trifluoromethyl)benzoyl]amino]acetic acid
• 中文别名: N-[3-(三氟甲基)苯甲酰基]甘氨酸 | 2-{[3-三氟甲基]苯甲酰}氨基}乙酸 | 2-间三氟甲苯甲酰胺基乙酸

间三氟甲基马尿酸物理化学性质

• 密度: 1.417g/cm3
• 沸点: 401.7ºC at 760mmHg
• 熔点: 134-138ºC
• 分子式: C₁₀H₈F₃NO₃
• 分子量: 247.17100
• 闪点: 196.7ºC
• 精确质量: 247.04600
• PSA: 66.40000
• LogP: 1.91070
• InChIKey: ZDGGJQMSELMHLK-UHFFFAOYSA-N
• SMILES: O=C(O)CNC(=O)c1cccc(C(F)(F)F)c1
• 蒸汽压: 3.57E-07mmHg at 25°C
• 折射率: 1.497
• 储存条件: 室温，避光干燥密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:3

  5.互变异构体数量:2

  6.拓扑分子极性表面积:66.4

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:304

  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

间三氟甲基马尿酸安全信息

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2924299090

间三氟甲基马尿酸海关

• 海关编码: 2924299090
• 中文概述: 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
• 申报要素: 品名, 成分含量, 用途, 包装
• Summary: 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

间三氟甲基马尿酸靶点实验

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：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：Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Lum... 来源：The Scripps Research Institute Molecular Screening Center 靶标：transactivating tegument protein VP16 [Human herpesvirus 1] External Id：VP16_INH_LUMI_1536_3X%INH CSRUN for SRC1

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

共118条，当前第1页，共12页

1

2

3

4

5

间三氟甲基马尿酸英文别名

• MFCD00029782
• m-trifluoromethylhippuric acid
• 2-{[3-(Trifluoromethyl)benzoyl]amino}acetic acid
• N-(3-(TRIFLUOROMETHYL)BENZOYL)GLYCINE