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6-硝基芦竹碱

更新时间:2025-08-27 16:54:30

6-硝基芦竹碱结构式
6-硝基芦竹碱结构式
品牌特惠专场
常用名 6-硝基芦竹碱 英文名 6-Nitrogramine
CAS号 6954-87-6 分子量 219.24000
密度 1.287g/cm3 沸点 377.9ºC at 760 mmHg
分子式 C11H13N3O2 熔点 N/A
MSDS N/A 闪点 182.4ºC

 6-硝基芦竹碱名称

中文名 6-硝基芦竹碱
英文名 N,N-dimethyl-1-(6-nitro-1H-indol-3-yl)methanamine
中文别名 3-(二甲氨甲基)-6-硝基吲哚
英文别名 更多

 6-硝基芦竹碱物理化学性质

密度 1.287g/cm3
沸点 377.9ºC at 760 mmHg
分子式 C11H13N3O2
分子量 219.24000
闪点 182.4ºC
精确质量 219.10100
PSA 64.85000
LogP 2.66090
InChIKey PMTRDROSYRMMAD-UHFFFAOYSA-N
SMILES CN(C)Cc1c[nH]c2cc([N+](=O)[O-])ccc12
折射率 1.661
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:2

5.互变异构体数量:无

6.拓扑分子极性表面积:64.8

7.重原子数量:16

8.表面电荷:0

9.复杂度:264

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

 6-硝基芦竹碱MSDS

 6-硝基芦竹碱毒性和生态

 6-硝基芦竹碱安全信息

海关编码 2933990090

 6-硝基芦竹碱合成线路

~87%

6-硝基芦竹碱结构式

6-硝基芦竹碱

6954-87-6

文献:Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ; Title/Abstract Full Text Show Details Vertex Pharmaceuticals Incorporated Patent: US2012/309758 A1, 2012 ; US 20120309758 A1

~85%

6-硝基芦竹碱结构式

6-硝基芦竹碱

6954-87-6

文献:Vertex Pharmaceuticals Incorporated Patent: US2012/309758 A1, 2012 ; Location in patent: Page/Page column 70 ; US 20120309758 A1

~%

6-硝基芦竹碱结构式

6-硝基芦竹碱

6954-87-6

文献:Magnetic Resonance in Chemistry, , vol. 47, # 3 p. 273 - 276

 6-硝基芦竹碱海关

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%

 6-硝基芦竹碱靶点实验

查看更多实验

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: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
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
实验名称:uHTS identification of small molecule modulators of NR3A
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1015-NR3A-Primary-Assay
实验名称:uHTS identification of small molecule modulators of Rev-erb Alpha.
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1016-RevErbaLBD-Primary-Assay
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 6-硝基芦竹碱英文别名

6-Nitrogramine
6-Nitro-gramin
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