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4-氯苯甲脒盐酸盐

更新时间:2025-08-22 19:49:51

4-氯苯甲脒盐酸盐结构式
4-氯苯甲脒盐酸盐结构式
品牌特惠专场
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

 4-氯苯甲脒盐酸盐名称

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

 4-氯苯甲脒盐酸盐物理化学性质

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

 4-氯苯甲脒盐酸盐MSDS

 4-氯苯甲脒盐酸盐毒性和生态

 4-氯苯甲脒盐酸盐安全信息

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

 4-氯苯甲脒盐酸盐合成线路

~92%

4-氯苯甲脒盐酸盐结构式

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

~59%

4-氯苯甲脒盐酸盐结构式

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

~70%

4-氯苯甲脒盐酸盐结构式

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-氯苯甲脒盐酸盐海关

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%

 4-氯苯甲脒盐酸盐靶点实验

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: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:qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
来源:NCGC
External Id:tdp43-p2-repeat
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 4-氯苯甲脒盐酸盐英文别名

MFCD00126401
4-Chlorobenzamidine Hydrochloride
4-chlorobenzenecarboximidamide,hydrochloride
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