cas号： 89239-35-0 ，名称： 8-乙基-1,3,5-三甲基-7,8-二氢-1H-咪唑并[1,2-c]吡唑并[3,4-e]嘧啶的性质/作用/用途-化学加百科

8-乙基-1,3,5-三甲基-7,8-二氢-1H-咪唑并[1,2-c]吡唑并[3,4-e]嘧啶

8-乙基-1,3,5-三甲基-7,8-二氢-1H-咪唑并[1,2-c]吡唑并[3,4-e]嘧啶基本信息
CAS号	89239-35-0	分子式	C12H17N5
分子量	231.29700	精确质量	231.14800
PSA	48.00000	LogP	0.51510

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基本信息物化性质安全信息毒性海关数据结构与计算数据

基本信息展开↓

CAS号：: 89239-35-0
分子式：: C12H17N5
分子量：: 231.29700
中文名称：: 8-乙基-1,3,5-三甲基-7,8-二氢-1H-咪唑并[1,2-c]吡唑并[3,4-e]嘧啶
英文名称：: CI-943
中文别名：: 8-乙基-1,3,5-三甲基-7,8-二氢-1H-咪唑并[1,2-c]吡唑并[3,4-e]嘧啶;
CI-943
英文别名：: CI-943;
1H-Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine,7,8-dihydro-8-ethyl-1,3,5-trimethyl;
1H-Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine,8-ethyl-7,8-dihydro-1,3,5-trimethyl;
7,8-Dihydro-8-ethyl-1,3,5-trimethyl-1H-imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine;
CI 943
精确分子量/精确质量：: 231.14800
极性分子表面积/PSA：: 48.00000
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。

物化性质展开↓

密度：: 1.34g/cm3
沸点：: 400.2ºC at 760 mmHg
闪点：: 195.8ºC
折射率：: 1.698

安全信息展开↓

海关代码：: 2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ5099300

CHEMICAL NAME :: 1H-Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine, 7,8-dihydro-8-ethyl-1,3,5-trimethyl-

CAS REGISTRY NUMBER :: 89239-35-0

LAST UPDATED :: 199510

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C12-H17-N5

MOLECULAR WEIGHT :: 231.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6150 mg/kg

SEX/DURATION :: male 9 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) after conception

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - other effects on male Reproductive - Maternal Effects - other effects

REFERENCE :: NETEEC Neurotoxicology and Teratology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.9- 1987- Volume(issue)/page/year: 17,13,1995

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6150 mg/kg

SEX/DURATION :: male 9 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: NETEEC Neurotoxicology and Teratology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.9- 1987- Volume(issue)/page/year: 17,13,1995

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 700 mg/kg

SEX/DURATION :: female 15-21 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: NETEEC Neurotoxicology and Teratology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.9- 1987- Volume(issue)/page/year: 17,13,1995

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%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:0.5

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:4

6.拓扑分子极性表面积:45.8

7.重原子数量:17

8.表面电荷:0

9.复杂度:388

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1