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
- 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
- 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
- 英文名称：
- 1H-Imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine,8-ethyl-7,8-dihydro-1,3,5-trimethyl-
- 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
- CAS No.：
- 89239-35-0
- 分 子 式：
-
C12H17N5
- 分 子 量：
- 0
- 精确分子量：
- 231.14800
- PSA：
- 48.00000
- 分子结构式：
-
- SDS：
- 查看
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 物化性质
- 密度：
- 1.34g/cm3
- 沸点：
- 400.2ºC at 760 mmHg
- 闪点：
- 195.8ºC
- 折射率：
- 1.698
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 安全信息
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 毒理性
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
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 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
- 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%
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 分子结构与计算化学数据
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
