4,6-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione

4,6-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione 基本信息
CAS号 2278-15-1 分子式 C6H7N5O2
分子量 181.15200 精确质量  181.06000
PSA  85.57000 LogP  -1.64470

基本信息 展开↓

CAS号:
2278-15-1
3D弹球模型:
立即前往扯扯看
分子式:
C6H7N5O2
分子量:
181.15200
英文名称:
4,6-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
英文别名:
4,6-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione;
8-azatheophylline;
4,6-dimethyl<1,2,3>triazolo<4,5-d>pyrimidine-5,7(4H,6H)-dione;
1,3-Dimethyl-8-azaxanthin;
1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione,4,6-dimethyl;
1,3-dimethyl-8-azaxanthine;
4,6-dimethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione;
4,5-d]pyrimidine-5,7(4H,6H)-dione;
4,6-dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione;
4,6-dimethyl-1,2,3-triazolo[4,5-d]pyrimidin-5,7-dione;
1H-s-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione,4,6-dimethyl;
4,6-Dimethyl-1H-s-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione;
4,6-Dimethyl-1H-v-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione;
4,6-dimethyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione;
4,6-Dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-5,7-dion
精确分子量/精确质量:
181.06000
极性分子表面积/PSA:
85.57000
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: YSKBPNLSRKSFFI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.559g/cm3
沸点:
420.2ºC at 760 mmHg
闪点:
207.9ºC
折射率:
1.628
蒸汽压:
2.86E-07mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5957000
CHEMICAL NAME :
1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4,6-dimethyl-
CAS REGISTRY NUMBER :
2278-15-1
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H7-N5-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
515 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 11(2),82,1977

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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