1-(二甲基胺甲基)萘酚结构式
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常用名 | 1-(二甲基胺甲基)萘酚 | 英文名 | 2-Naphthalenol,1-[(dimethylamino)methyl] |
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| CAS号 | 5419-02-3 | 分子量 | 201.26400 | |
| 密度 | 1.127g/cm3 | 沸点 | 325.8ºC at 760mmHg | |
| 分子式 | C13H15NO | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 157.9ºC |
| 中文名 | 1-(二甲基胺甲基)萘酚 |
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| 英文名 | 1-[(dimethylamino)methyl]naphthalen-2-ol |
| 中文别名 | 1-(二甲基胺甲基)-2-萘酚 |
| 英文别名 | 更多 |
| 密度 | 1.127g/cm3 |
|---|---|
| 沸点 | 325.8ºC at 760mmHg |
| 分子式 | C13H15NO |
| 分子量 | 201.26400 |
| 闪点 | 157.9ºC |
| 精确质量 | 201.11500 |
| PSA | 23.47000 |
| LogP | 2.60700 |
| InChIKey | GOHHBFSPKLRUNF-UHFFFAOYSA-N |
| SMILES | CN(C)Cc1c(O)ccc2ccccc12 |
| 储存条件 | 避光,阴凉干燥处,密封保存 |
| 稳定性 | 常温常压下稳定 |
| 分子结构 | 分子性质数据: 1、 摩尔折射率:63.88 2、 摩尔体积(m3/mol):178.5 3、 等张比容(90.2K):468.1 4、 表面张力(dyne/cm):47.2 5、 极化率(10 -24cm 3):25.32 |
| 计算化学 | 1、 疏水参数计算参考值(XlogP):2.7 2、 氢键供体数量:1 3、 氢键受体数量:2 4、 可旋转化学键数量:2 5、 互变异构体数量:3 6、 拓扑分子极性表面积(TPSA):23.5 7、 重原子数量:15 8、 表面电荷:0 9、 复杂度:205 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:未确定 2. 密度(g/mL,25/4℃):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(ºC,5.2kPa):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,25ºC):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 |
| 海关编码 | 2922299090 |
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~99%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Anwar, Hany F.; Skattebol, Lars; Hansen, Trond Vidar Tetrahedron, 2007 , vol. 63, # 40 p. 9997 - 10002 |
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~89%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Ganesan, Subramaniapillai Selva; Rajendran, Narendran; Sundarakumar, Sankahr Ilathur; Ganesan, Asaithampi; Pemiah, Brindha Synthesis (Germany), 2013 , vol. 45, # 11 art. no. SS-2013-Z0059-OP, p. 1564 - 1568 |
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~80%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Hwang, Der-Ren; Uang, Biing-Jiun Organic Letters, 2002 , vol. 4, # 3 p. 463 - 466 |
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~36%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Sun, Wenbo; Lin, Huacan; Zhou, Wenyu; Li, Zigang RSC Advances, 2014 , vol. 4, # 15 p. 7491 - 7494 |
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~%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Kreutzkamp,N.; Oei,H.-J. Chemische Berichte, 1968 , vol. 101, # 7 p. 2459 - 2463 |
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~%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Bayer and Co. Patent: DE90907 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 101 Full Text Show Details Dsbanowskii et al. Sb. Statei Obshch. Khim., 1953 , p. 607 Chem.Abstr., 1955 , p. 986 |
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~%
1-(二甲基胺甲基)萘酚 5419-02-3 |
| 文献:Bayer and Co. Patent: DE90908 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 102 |
| 海关编码 | 2922299090 |
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| 中文概述 | 2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 |
| Summary | 2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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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: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
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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
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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: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: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
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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
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实验名称:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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| MFCD00086150 |
| 1-DIMETHYLAMINOMETHYL-2-NAPHTHOL |
| 1-[(DIMETHYLAMINO)METHYL]-2-NAPHTHOL |
| N,N-dimethyl-1-aminomethyl-2-naphthol |
| F3097-2765 |