7-(2-溴乙基)茶碱 | 23146-05-6
7-(2-溴乙基)茶碱
7-(2-Bromoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
23146-05-6
C9H11N4O2Br
287.11324
名称和标识符
InChIKey |
ZZWGXGHWFOTKNP-UHFFFAOYSA-N |
Inchi |
1S/C9H11BrN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3 |
SMILES |
BrCCN1C2=C(N(C)C(=O)N(C)C2=O)N=C1 |
别名信息
- 中文别名 -
- 7-(2-溴乙基)茶碱
- 7-(2-溴乙基)-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮
- 溴乙基茶碱
- 英文别名 -
- 7-(2-Bromoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
- 7-(2-Bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 1H-Purine-2,6-dione, 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-
- 7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione
- 7-(2-BROMOETHYL)-THEOPHYLLINE
- 7-(2-Brom-aethyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
- 7-(2-bromo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
- 7-(2-bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 7-ethylbromo-theophylline
- EINECS 245-454-2
- N7-bromoethyl-3-methyl-1-methylxanthine
- DTXSID40177725
- SR-01000312172
- N7-bromoethyl theophylline
- 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 23146-05-6
- AKOS000716446
- 7-(2-bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- 7-(2-bromoethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 7-(2-bromoethyl)-1, 3-dimethylpurine-2, 6-dione
- ZZWGXGHWFOTKNP-UHFFFAOYSA-N
- SR-01000312172-1
- 7-(2-bromoethyl)theophylline
- SCHEMBL6310598
- NS00027364
- W-110558
物化性质
实验特性
LogP |
-0.17140 |
PSA |
61.82000 |
折射率 |
1.696 |
沸点 |
472.4°Cat760mmHg |
闪点 |
239.5°C |
密度 |
1.76 |
计算特性
精确分子量 |
286.00700 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
286.006538 |
重原子数量 |
16 |
复杂度 |
325 |
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 |
疏水参数计算参考值(XlogP) |
0.2 |
拓扑分子极性表面积 |
58.4 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
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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