3,7-二甲基-1-炔丙基黄嘌呤结构式
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常用名 | 3,7-二甲基-1-炔丙基黄嘌呤 | 英文名 | 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl) |
|---|---|---|---|---|
| CAS号 | 14114-46-6 | 分子量 | 218.21200 | |
| 密度 | 1.31g/cm3 | 沸点 | 443.9ºC at 760mmHg | |
| 分子式 | C10H10N4O2 | 熔点 | 204-205ºC | |
| MSDS | 中文版 美版 | 闪点 | 222.3ºC | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | A2A受体选择性拮抗剂,DMPX |
|---|---|
| 英文名 | 3,7-Dimethyl-1-propargylxanthine |
| 中文别名 | 3,7-二甲基-1-丙炔黄嘌呤 |
| 英文别名 | 更多 |
| 密度 | 1.31g/cm3 |
|---|---|
| 沸点 | 443.9ºC at 760mmHg |
| 熔点 | 204-205ºC |
| 分子式 | C10H10N4O2 |
| 分子量 | 218.21200 |
| 闪点 | 222.3ºC |
| 精确质量 | 218.08000 |
| PSA | 61.82000 |
| InChIKey | IORPOFJLSIHJOG-UHFFFAOYSA-N |
| SMILES | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O |
| 蒸汽压 | 4.46E-08mmHg at 25°C |
| 折射率 | 1.638 |
| 储存条件 | 室温,干燥,密封 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:0 3.氢键受体数量:3 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:58.4 7.重原子数量:16 8.表面电荷:0 9.复杂度:386 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 |
| 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) | 22-26-36 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2933990090 |
|
~82%
3,7-二甲基-1-炔丙基黄嘌呤 14114-46-6 |
| 文献:Casaschi, Adele; Grigg, Ronald; Sansano, Jose M. Tetrahedron, 2000 , vol. 56, # 38 p. 7553 - 7560 |
| 3,7-二甲基-1-炔丙基黄嘌呤上游产品 2 | |
|---|---|
| 3,7-二甲基-1-炔丙基黄嘌呤下游产品 0 | |
| 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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External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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| 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione |
| 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione |
| 3,7-Dimethyl-1-(2-propynyl)xanthine DMPX |