3-Quinolinecarbonitrile,1,2,3,4-tetrahydro-2-oxo-
- 中文别名：乳酸十二基铵
- 中文释义：乳酸十二基铵;2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
- 英文别名：2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile;
3-cyano-3,4-dihydroquinolin-2(1H)-one;
3-Quinolinecarbonitrile,1,2,3,4-tetrahydro-2-oxo;
Compound 84-182;
3-Cyano-3,4-dihydroquinoline-2(1H)-one;
cyano-3 dihydro-3,4 quinolone-2;
Compd.84-182;
1,2,3,4-Tetrahydro-2-oxo-3-quinolinecarbonitrile
- CAS No.：106073-17-0
- 分子式：C10H8N2O
- 分子量：0
- 精确分子量：172.06400
- PSA：56.38000
- InChI：The Key: VKKXUYMZWXMMJH-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.26g/cm3
- 沸点：
- 440.1ºC at 760 mmHg
- 闪点：
- 220ºC
- 折射率：
- 1.606
- 蒸汽压：
- 6.06E-08mmHg at 25°C
安全信息
- 密度：
- 1.26g/cm3
- 沸点：
- 440.1ºC at 760 mmHg
- 闪点：
- 220ºC
- 折射率：
- 1.606
- 蒸汽压：
- 6.06E-08mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VB1070000
- CHEMICAL NAME :
- 3-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-2-oxo-
- CAS REGISTRY NUMBER :
- 106073-17-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H8-N2-O
- MOLECULAR WEIGHT :
- 172.20
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- DOSE :
- 30 mg/kg
- SEX/DURATION :
- female 16-21 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 36,239,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 30 mg/kg
- SEX/DURATION :
- female 5-10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 36,239,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 30 mg/kg
- SEX/DURATION :
- female 3-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
- REFERENCE :
- CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 36,239,1987
海关数据
中国海关编码：2933790090
- 概述：
- 2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 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：
- 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. 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）:1.1
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:3
6.拓扑分子极性表面积:52.9
7.重原子数量:13
8.表面电荷:0
9.复杂度:265
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
