9H-Purine,6-hydrazinyl-
- 中文别名：6-肼基嘌呤
- 中文释义：6-肼基嘌呤;6-肼嘌啉
- 英文别名：6-Hydrazinopurine;
6-hydrazino-purin;
6-HYDRAZINO-9H-PURINE;
1,7-dihydro-6h-purin-6-onehydrazone;
1,7-dihydro-6h-purin-6-onhydrazone;
6-Hydrazino-1H-purine;
6-hydrazinyl-9H-purine;
7H-purin-6-ylhydrazine;
purin-6-ylhydrazine
- CAS No.：5404-86-4
- 分子式：C5H6N6
- 分子量：150.14
- 精确分子量：150.06500
- PSA：92.51000
- InChI：InChI=1/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-3H,6H2,(H,7,8,9,10,11)
- 分子结构式：
物化性质
- 外观与性状：
- 白色至淡黄色结晶粉末
- 密度：
- 1.702 g/cm3
- 熔点：
- 150.14ºC
- 沸点：
- 616.9ºC at 760 mmHg
- 闪点：
- 326.9ºC
- 折射率：
- 1.982
安全信息
- 外观与性状：
- 白色至淡黄色结晶粉末
- 密度：
- 1.702 g/cm3
- 熔点：
- 150.14ºC
- 沸点：
- 616.9ºC at 760 mmHg
- 闪点：
- 326.9ºC
- 折射率：
- 1.982
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UO8550000
- CHEMICAL NAME :
- Purine, 6-hydrazino-
- CAS REGISTRY NUMBER :
- 5404-86-4
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H6-N6
- MOLECULAR WEIGHT :
- 150.17
- WISWESSER LINE NOTATION :
- T56 BM DN FN HNJ IMZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 86 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982
- TYPE OF TEST :
- LD10 - Lethal Dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 75 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 7,69,1970
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%
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）:无
2.氢键供体数量:3
3.氢键受体数量:5
4.可旋转化学键数量:1
5.互变异构体数量:8
6.拓扑分子极性表面积:92.5
7.重原子数量:11
8.表面电荷:0
9.复杂度:139
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:0
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
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