4-羟甲基咪唑盐酸盐结构式
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常用名 | 4-羟甲基咪唑盐酸盐 | 英文名 | 4-hydroxymethyl imidazole HCL |
|---|---|---|---|---|
| CAS号 | 32673-41-9 | 分子量 | 134.564 | |
| 密度 | 1.311g/cm3 | 沸点 | 393.7ºC at 760mmHg | |
| 分子式 | C4H7ClN2O | 熔点 | 110 °C | |
| MSDS | 中文版 美版 | 闪点 | 191.9ºC | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 4(5)-羟甲基咪唑盐酸盐 |
|---|---|
| 英文名 | 1H-imidazol-5-ylmethanol,hydrochloride |
| 中文别名 | 4-羟甲基咪唑盐酸盐 | 4(5)-(羟基甲基)咪唑盐酸盐 | 4-羟基甲基咪唑盐酸盐 | 4-咪唑甲醇盐酸盐 |
| 英文别名 | 更多 |
| 密度 | 1.311g/cm3 |
|---|---|
| 沸点 | 393.7ºC at 760mmHg |
| 熔点 | 110 °C |
| 分子式 | C4H7ClN2O |
| 分子量 | 134.564 |
| 闪点 | 191.9ºC |
| 精确质量 | 134.024689 |
| PSA | 48.91000 |
| LogP | 0.70400 |
| InChIKey | WFNASTYGEKUMIY-UHFFFAOYSA-N |
| SMILES | Cl.OCc1cnc[nH]1 |
| 外观性状 | 白色至灰白色结晶粉末 |
| 储存条件 | 密封、在 -20ºC下保存 |
| 稳定性 | 如果遵照规格使用和储存则不会分解,未有已知危险反应 避免氧化物 |
| 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:2 4.可旋转化学键数量:1 5.互变异构体数量:2 6.拓扑分子极性表面积48.9 7.重原子数量:8 8.表面电荷:0 9.复杂度:57.7 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 |
| 更多 | 1. 性状:白色或奶油色的晶体粉末 2. 密度(g/mL,20℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):108-111 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,KPa):未确定 7. 折射率:未确定 8. 闪点(ºC):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(Pa,20ºC):未确定 12. 饱和蒸气压(KPa,20ºC):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 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 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 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| 海关编码 | 2933290090 |
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4-羟甲基咪唑盐酸盐 32673-41-9 |
| 文献:Journal of Heterocyclic Chemistry, , vol. 33, # 4 p. 1345 - 1354 |
| 4-羟甲基咪唑盐酸盐上游产品 2 | |
|---|---|
| 4-羟甲基咪唑盐酸盐下游产品 10 | |
| 海关编码 | 2933290090 |
|---|---|
| 中文概述 | 2933290090. 其他结构含非稠合咪唑环的化合物. 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 | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Structure-based design of imidazole-containing peptidomimetic inhibitors of protein farnesyltransferase.
Org. Biomol. Chem. 4 , 482, (2006) A series of imidazole-containing peptidomimetic PFTase inhibitors and their co-crystal structures bound to PFTase and FPP are reported. The structures reveal that the peptidomimetics adopt a similar c... |
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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:Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay
来源:ChEMBL
靶标:N/A
External Id:CHEMBL1266185
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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:Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
来源:NMMLSC
靶标:ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id:UNMCMD_ABCB6_1o_ValidationSet
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| EINECS 251-150-0 |
| Imidazol-4-ylmethanol hydrochloride |
| 4(5)-Hydroxymethyl-imidazol-hydrochlorid |
| MFCD00266718 |
| (1H-Imidazol-4-yl)methanol hydrochloride |
| 4-Imidazolemethanol hydrochloride |
| 4-Hydroxymethylimidazole hydrochloride |
| 4-hydroxymethyl imidazole HCL |
| 1H-imidazole-4-methanol hydrochloride |
| 4-(Hydroxymethyl)imidazole hydrochloride |
| 4-(HYDROXYMETHYL)IMIDAZOLE HCL |
| 4(5)-Hydroxymethylimidazole hydrochloride |
| 1H-Imidazole-4-methanol, hydrochloride (1:1) |
| 1h-imidazol-4-ylmethanol hydrochloride(1:1) |
| 1H-Imidazol-4-ylmethanol hydrochloride (1:1) |
| 4-(Hydroxymethyl)-1H-imidazol-1-ium chloride |
| chlorhydrate du 4-(hydroxymethyl)imidazole |