3,7-二甲基-1-炔丙基黄嘌呤

更新时间：2025-08-21 12:14:51

3,7-二甲基-1-炔丙基黄嘌呤结构式	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
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

3,7-二甲基-1-炔丙基黄嘌呤MSDS英文版

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

可可碱

83-67-0

溴代丙炔

106-96-7

~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
CAS号83-67-0 可可碱 CAS号106-96-7 溴代丙炔
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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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