5-methoxyisoquinoline
- 中文别名:5-甲氧基异喹啉
- 中文释义:5-甲氧基异喹啉;Rwj 22164;1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin;1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin;Atosibanum;Atosibanum [INN-Latin];ORF 22164;Tractocile;UNII-081D12SI0Z;Oxytocin, 1-(3-mer
- 英文别名:5-methoxyisoquinoline;
5-Methoxyisoquinoline
- CAS No.:90806-58-9
- 分子式:C10H9NO
- 分子量:159.18500
- 精确分子量:159.06800
- PSA:22.12000
- InChI:InChI=1/C10H9NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-7H,1H3
- 分子结构式:
物化性质
- 密度:
- 1.131 g/cm3
- 沸点:
- 295.593ºC at 760 mmHg
- 闪点:
- 108.428°C
- 折射率:
- 1.611
安全信息
- 密度:
- 1.131 g/cm3
- 沸点:
- 295.593ºC at 760 mmHg
- 闪点:
- 108.428°C
- 折射率:
- 1.611
海关数据
中国海关编码:2933499090
- 概述:
- 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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:
- 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. 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):2.1
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积:22.1
7.重原子数量:12
8.表面电荷:0
9.复杂度:149
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
热门化工词典词汇
- 29H,31H-Phthalocyanine,C,C,C,C-tetrakis[4-(1-methyl-1-phenylethyl)phenoxy]-四(4-枯基苯氧基)酞菁
- 1-N-BOC-4-(4-AMINOBENZYL) PIPERIDINEN-Boc哌啶-4-对氨基甲苯
- 5-(2,4-Dichlorophenyl)-2-furoic acid5-(2,4-二氯苯基)-2-糠酸
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-(2-penten-1-yl)-, sodium salt (1:1)5-乙基-1-甲基-5-(2-戊烯基)-2-钠氧基-4,6(1H,5H)-嘧啶二酮
- 1,5-Naphthalenedisulfonicacid,2-[2-[8-[[4-[(3-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulf苯甲亚胺酸,3-溴-4-甲氧基-,乙基酯
- 3,5-Methanocyclopenta[b]pyrrole-7-carboxylicacid, 6-aminooctahydro-2-oxo-2-氨基-5-氧代-4-氮杂三环[4.2.1.03,7]壬烷-9-羧酸
- 2,2,5,5-tetraphenyl-5H-2λ5-[1,2]azaphosphole-3,4-dicarboxylic acid dimethyl ester2,2,5,5-tetraphenyl-5H-2λ5-[1,2]azaphosphole-3,4-dicarboxylic acid dimethyl ester
- m-Terphenyl间三联苯
- tert-Nonyl polysulfide叔壬基聚硫化物
- 2-Bromo-5-nitrofuran2-溴-5-硝基呋喃