8-(dimethylamino)-1,3-dimethyl-7H-purine-2,6-dione

8-(dimethylamino)-1,3-dimethyl-7H-purine-2,6-dione 基本信息
CAS号 5426-47-1 分子式 C9H13N5O2
分子量 223.23200 精确质量  223.10700
PSA  75.92000 LogP  -0.97370

基本信息 展开↓

CAS号:
5426-47-1
3D弹球模型:
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分子式:
C9H13N5O2
分子量:
223.23200
英文名称:
8-(dimethylamino)-1,3-dimethyl-7H-purine-2,6-dione
英文别名:
8-(dimethylamino)-1,3-dimethyl-7H-purine-2,6-dione;
8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;
Theophylline,8-(dimethylamino);
8-Dimethylaminotheophylline;
8-dimethylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione;
8-Dimethylamino-theophyllin;
8-(dimethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;
1H-Purine-2,6-dione,8-(dimethylamino)-3,7-dihydro-1,3-dimethyl;
8-Dimethylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
精确分子量/精确质量:
223.10700
极性分子表面积/PSA:
75.92000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: QOFFIYLUCIEBBX-UHFFFAOYSA-N

物化性质展开↓

密度:
1.387g/cm3
沸点:
418.8ºC at 760 mmHg
闪点:
207.1ºC
折射率:
1.632

安全信息展开↓

海关代码:
2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5110000
CHEMICAL NAME :
Theophylline, 8-(dimethylamino)-
CAS REGISTRY NUMBER :
5426-47-1
LAST UPDATED :
198105
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N5-O2
MOLECULAR WEIGHT :
223.27
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CN1&1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04369

海关数据查看详细

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
摘要/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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