7-乙基茶碱 | 23043-88-1
中文名称:
7-乙基茶碱
英文名称:
7-Ethyl Theophylline
CAS No.:
23043-88-1
分子式:
C9 H1 2 N4 O2
分子量:
208.21718
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7-乙基茶碱结构式
名称和标识符
InChIKey
RPOQNHMXOPWCEK-UHFFFAOYSA-N
Inchi
InChI=1S/C9H12N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,4H2,1-3H3
SMILES
CCN1C=NC2N(C(N(C(=O)C1=2)C)=O)C
别名信息
- 英文别名 -
1H-Purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dimethyl-
7-Ethyl Theophylline
7-ethyl-1,3-dimethylpurine-2,6-dione
1,3-Dimethyl-7-ethylxanthine
7-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
7-ethyl-1,3-dimethylxanthine
7-ETHYL-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE
ethyl-7 dimethyl-1,3 xanthine
Ethyltheophylline
Ethyltheophylline (VAN)
Theophylline,7-ethyl
DTXSID00177605
ETHYLTHEOPHYLLINE [VAN]
1H,1H,2H-PERFLUORODIPROPYLETHER
7-Ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
NS00113806
Z112207566
1H-Purine-2, 7-ethyl-3,7-dihydro-1,3-dimethyl-
Theophylline, 7-ethyl-
7-Ethyl-1,3-dimethylxanthine
NSC-515485
AKOS000722124
7-Ethyltheophylline
Ethylteofyllin
23043-88-1
SCHEMBL516014
NSC 515485
7-Ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
RPOQNHMXOPWCEK-UHFFFAOYSA-N
NSC515485
Q27259500
4EZ53T6D01
7-ethyl-1, 3-dimethylpurine-2, 6-dione
J-014954
UNII-4EZ53T6D01
FT-0668397
物化性质
实验特性
LogP
-0.54640
PSA
61.82000
折射率
1.6590 (estimate)
沸点
347.41°C (rough estimate)
熔点
148-150°C
闪点
206.9°C
密度
1.2480 (rough estimate)
计算特性
精确分子量
208.09600
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
1
同位素质量
208.096
重原子数量
15
复杂度
307
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
58.4A^2
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%
相关文献
1.
Reference materials for analytical toxicology including doping control: freeze-dried urine samples
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2.
Reactions of chloro(triphenylphosphine)gold(I) and [μ-l,2-bis(diphenylphosphine)ethane]-bis[bromogold(I)] with oxopurine bases. Molecular and crystal structure and bonding of (theophyllinato)(triphenylphosphine)gold(I)
Enrique Colacio,Antonio Romerosa,Jose Ruiz,Pascual Román,Juan M. Gutiérrez-Zorrilla,Martin Martínez-Ripoll J. Chem. Soc. Dalton Trans. 1989 2323
3.
Organic chemistry
J. Chem. Soc. Abstr. 1908 94 A1
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A new synthesis of pteridines
Raymond D. Youssefyeh,A. Kalmus J. Chem. Soc. D 1969 1426
5.
Research and development topics in analytical chemistry
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Index of subjects
J. Chem. Soc. Abstr. 1908 94 B1219
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Physiological chemistry
J. Chem. Soc. Abstr. 1905 88 B727
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Index of subjects
J. Chem. Soc. Abstr. 1906 90 B1039
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