N-ω-甲基色胺结构式
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常用名 | N-ω-甲基色胺 | 英文名 | Nω-methyltryptamine |
|---|---|---|---|---|
| CAS号 | 61-49-4 | 分子量 | 174.242 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 336.2±17.0 °C at 760 mmHg | |
| 分子式 | C11H14N2 | 熔点 | 87-89 °C(lit.) | |
| MSDS | N/A | 闪点 | 157.1±20.9 °C |
| 中文名 | N(omega)-甲基色胺 |
|---|---|
| 英文名 | N-methyltryptamine |
| 中文别名 | 3-(2-甲基氨基乙基)吲哚 | N-OMEGA-甲基色胺 | N-Ω-甲基色胺 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 336.2±17.0 °C at 760 mmHg |
| 熔点 | 87-89 °C(lit.) |
| 分子式 | C11H14N2 |
| 分子量 | 174.242 |
| 闪点 | 157.1±20.9 °C |
| 精确质量 | 174.115692 |
| PSA | 27.82000 |
| LogP | 1.52 |
| InChIKey | NCIKQJBVUNUXLW-UHFFFAOYSA-N |
| SMILES | CNCCc1c[nH]c2ccccc12 |
| 外观性状 | 白色至灰白色有光泽的结晶粉末或片 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.621 |
| 储存条件 | -20°C |
| 分子结构 | 五、分子性质数据: 1、 摩尔折射率:56.30 2、 摩尔体积(m3/mol):160.0 3、 等张比容(90.2K):415.0 4、 表面张力(dyne/cm):45.2 5、 极化率(10 -24cm 3):22.32 |
| 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:1 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积27.8 7.重原子数量:13 8.表面电荷:0 9.复杂度:158 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 |
| 安全声明 (欧洲) | S24/25 |
|---|---|
| WGK德国 | 3 |
| RTECS号 | NM0450000 |
| 海关编码 | 2933990090 |
| N-ω-甲基色胺上游产品 9 | |
|---|---|
| N-ω-甲基色胺下游产品 7 | |
| 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% |
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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
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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
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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.
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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
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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
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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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
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实验名称:qHTS for Inhibitors of Polymerase Iota
来源:NCGC
靶标:DNA polymerase iota [Homo sapiens]
External Id:PolI100
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| N(ω)-methyltryptamine |
| Nw-Methyltryptamine |
| N-Methyltryptamine |
| 2-(1H-indol-3-yl)-N-methylethan-1-amine |
| N-ω-Methyltryptamine |
| N-ω-Methyltryptamine(NMT) |
| 1-methyl-1H-indole-3-ethylamine |
| (2-indol-3-ylethyl)methylamine |
| 2-(1H-Indol-3-yl)-N-methylethanamine |
| MFCD00005657 |
| 3-(2-Methylaminoethyl)indole |
| EINECS 200-507-9 |