4(3H)-Quinazolinone,6-amino-2-methyl-3-(2-methylphenyl)-
- 中文别名：2-(2-甲基苯基)-p-苯并醌97%
- 中文释义：2-(2-甲基苯基)-p-苯并醌97%
- 英文别名：6-amino-2-methyl-3-(2-methylphenyl)quinazolin-4-one;
6-amino-2-methyl-3-o-tolyl-3H-quinazolin-4-one;
6-Aminomethaqualone;
HB-218;
2-Methyl-3--6-amino-chinazolon;
6-Amino-2-methyl-3-o-tolyl-3H-chinazolin-4-on
- CAS No.：963-34-8
- 分子式：C16H15N3O
- 分子量：265.34
- 精确分子量：265.12200
- PSA：60.91000
- 分子结构式：
物化性质
- 密度：
- 1.24g/cm3
- 沸点：
- 483.6ºC at 760mmHg
- 闪点：
- 246.3ºC
- 折射率：
- 1.655
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.24g/cm3
- 沸点：
- 483.6ºC at 760mmHg
- 闪点：
- 246.3ºC
- 折射率：
- 1.655
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VA2365000
- CHEMICAL NAME :
- 4(3H)-Quinazolinone, 6-amino-2-methyl-3-(o-tolyl)-
- CAS REGISTRY NUMBER :
- 963-34-8
- BEILSTEIN REFERENCE NO. :
- 0665637
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C16-H15-N3-O
- MOLECULAR WEIGHT :
- 265.34
- WISWESSER LINE NOTATION :
- T66 BVN ENJ CR B1& D1 IZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,362,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 64 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,362,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,362,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 91 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,362,1971
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:1
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:9
6.拓扑分子极性表面积:58.7
7.重原子数量:20
8.表面电荷:0
9.复杂度:420
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
