- 产品名称
- 茶碱
- CAS NO
- 58-55-9
- 中文别名
- 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; 1,3-Dimethylxanthine; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 英文名称
- 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-
- 英文别名
- 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl- (9CI); Theophylline (8CI); 1,3-Dimethylxanthine;Accurbron; Aerobin; Aerolate; Afonilm; Apnecut; Armophylline; Asmax; Austyn;Bilordyl; Brochoretard; Bronkodyl; Cetraphylline; Chronophyllin; Constant T;Controfilina 200; Diffumal; Duraphyl; Duraphyllin; Egifilin; Elan;Elixophyllin; Elixophylline; Etheophyl; Euphylong; Insanovin; LaBID;Lanophyllin; Lasma; Liquophylline; NSC 2066; Nuelin; Optiphyllin; Parkophyllin;Physpan; Pro-Vent; Pseudotheophylline; PulmiDur; Pulmo-Timelets; Quibron T;Quibron T/SR; Respbid; Respicur; Slo-Bid; Slo-Phyllin; Solosin; SomophyllinCRT; Somophyllin T; Spophyllin retard; Sustaire; Talotren; Telb-DS; Telbans;Telbans Dry Syrup; Teocen 200; Teonova; Tesona; Theo 24; Theo-DS; Theo-Dur;Theo-Nite; Theo-Sav; Theobid; Theobid Duracap; Theochron; Theoclear; Theodel;Theodrip; Theodur Dry Syrup; Theofol; Theograd; Theolair; Theon; Theona P;Theopek; Theophyl; Theophyllin; Theoplus; Theostat; Theotard; Theovent;Throphylline; Unic
- 分子式
-
C7H8N4O2
- 分子量
- 180.16
- EINECS
- 200-385-7
- 熔点
- 271-273°C
- 沸点
- 454.1oC at 760 mmHg
- 毒性
基本信息
化学式:C7H8N4O2
分子量:180.164
CAS号:58-55-9
EINECS号:200-385-7
理化性质
密度:1.465g/cm3
熔点:271-273°C
沸点:454.1ºC
闪点:11°C
折射率:1.737
外观:白色结晶性粉末
溶解性:溶于热水、氢氧化碱溶液、氨水、稀盐酸和稀硝酸,微溶于乙醚 [2]
计算化学数据
疏水参数计算参考值(XlogP):无
氢键供体数量:1
氢键受体数量:3
可旋转化学键数量:0
互变异构体数量:4
拓扑分子极性表面积:69.3
重原子数量:13
表面电荷:0
复杂度:267
同位素原子数量:0
确定原子立构中心数量:0
不确定原子立构中心数量:0
确定化学键立构中心数量:0
不确定化学键立构中心数量:0
共价键单元数量:1 [2]