4-氯苯甲脒盐酸盐结构式
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常用名 | 4-氯苯甲脒盐酸盐 | 英文名 | 4-Chlorobenzamidine hydrochloride |
|---|---|---|---|---|
| CAS号 | 14401-51-5 | 分子量 | 191.05800 | |
| 密度 | N/A | 沸点 | 241.1ºC at 760mmHg | |
| 分子式 | C7H8Cl2N2 | 熔点 | 244 °C | |
| MSDS | 美版 | 闪点 | 99.6ºC |
| 中文名 | 4-氯苯甲脒盐酸盐 |
|---|---|
| 英文名 | 4-Chlorobenzene-1-carboximidamide hydrochloride |
| 中文别名 | 对氯苯甲脒盐酸盐 |
| 英文别名 | 更多 |
| 沸点 | 241.1ºC at 760mmHg |
|---|---|
| 熔点 | 244 °C |
| 分子式 | C7H8Cl2N2 |
| 分子量 | 191.05800 |
| 闪点 | 99.6ºC |
| 精确质量 | 190.00600 |
| PSA | 49.87000 |
| LogP | 3.22610 |
| InChIKey | RXAOGVQDNBYURA-UHFFFAOYSA-N |
| SMILES | Cl.N=C(N)c1ccc(Cl)cc1 |
| 外观性状 | 固体;White to Almost white powder to crystal |
| 蒸汽压 | 0.0366mmHg at 25°C |
| 折射率 | 1.597 |
| 储存条件 | 2-8°C |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:3 3.氢键受体数量:1 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积49.9 7.重原子数量:11 8.表面电荷:0 9.复杂度:128 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:2 |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36-S37/39 |
| 海关编码 | 2925290090 |
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~92%
4-氯苯甲脒盐酸盐 14401-51-5 |
| 文献:MERCK PATENT GMBH Patent: WO2006/94604 A1, 2006 ; Location in patent: Page/Page column 62; 63; 72; 73 ; WO 2006/094604 A1 |
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~59%
4-氯苯甲脒盐酸盐 14401-51-5 |
| 文献:Kuvaeva; Fedorova; Zaitsev; Yakovlev; Zakharov; Semakova Russian Journal of Organic Chemistry, 2012 , vol. 48, # 2 p. 209 - 213 |
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~70%
4-氯苯甲脒盐酸盐 14401-51-5 |
| 文献:Mahajan, Umesh S.; Godinde, Rupesh R.; Mandhare Synthetic Communications, 2011 , vol. 41, # 15 p. 2195 - 2199 |
| 4-氯苯甲脒盐酸盐上游产品 3 | |
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| 4-氯苯甲脒盐酸盐下游产品 7 | |
| 海关编码 | 2925290090 |
|---|---|
| 中文概述 | 2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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 |
| Summary | 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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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| MFCD00126401 |
| 4-Chlorobenzamidine Hydrochloride |
| 4-chlorobenzenecarboximidamide,hydrochloride |