1-羧基异喹啉 | 486-73-7

中文名称:1-羧基异喹啉
英文名称:Isoquinoline-1-carboxylic acid
CAS No.:486-73-7
分子式:C10H7NO2 分子量:173.1681
湖北齐飞医药化工有限公司
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江苏雷恩环保科技有限公司
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名称和标识符
  • MDL:MFCD00006901
  • InChIKey:XAAKCCMYRKZRAK-UHFFFAOYSA-N
  • Inchi:1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
  • SMILES:O([H])C(C1C2=C([H])C([H])=C([H])C([H])=C2C([H])=C([H])N=1)=O
  • BRN:129177
中文别名
  • 1-羧基异喹啉
  • 1-异喹啉羧酸
  • 异喹啉羧酸
  • 异喹诺林甲酸
  • 异喹啉-1-甲酸
  • 异喹啉-1-羧酸
  • 2-茚酮
英文别名
  • 1-Isoquinolinecarboxylic acid
  • Isoquinoline-1-carboxylic acid
  • Isoquinling-1-carboxylic acid
  • 1-Carboxyisoquinoline
  • 2-Indanone
  • BORON TRIMETHOXIDE
  • Isoquinaldic acid.
  • isoquinoline carboxylic acid
  • LSOQUINOLINE-1-CARBOXYLICACID
  • METHYL BORATE-11B
  • RARECHEM AL BO 1345
  • rimethoxyboron
  • TRIMETHOXYBORANE
  • TRIMETHYL BORATE-11B
  • isoquinolinecarboxylic acid
  • Isoquinoline-1-carboxylicacid
  • Isoquinioline-1-carboxylic acid
  • isoquinolinic acid
  • PubChem7537
  • isoquinoline-1carboxylic acid
  • KSC170S7D
  • 1-isoquinoline-carboxylic acid
  • 1-isoquinoline carboxylic acid
  • XAAKCCMYRKZRAK-UHFFFAOYSA-
  • STR06344
  • NSC218351
  • BBL001470
  • B8AHM99SW2
  • SY018979
  • W-106045
  • F2191-0251
  • Z844451606
  • SB37327
  • 486-73-7
  • NS00043370
  • SCHEMBL287165
  • EINECS 207-639-6
  • AI3-61946
  • AC-10287
  • Isoquinaldic acid
  • A7348
  • EN300-55949
  • NSC-218351
  • CHEMBL1650606
  • InChI=1/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
  • AKOS005171622
  • Isoquinoline-1-carboxylic acid, technical, >=97.0% (T)
  • FS-1571
  • BB 0253757
  • I0671
  • AM20070108
  • MFCD00006901
  • DTXSID60197566
  • AP-065/40744548
  • FT-0607986
  • NSC 218351
  • Isoquinoline-1-carboxylic acid, 99%
  • CS-W002015
计算特性
  • 精确分子量:173.04800
  • 氢键供体数量:1
  • 氢键受体数量:3
  • 可旋转化学键数量:1
  • 同位素质量:173.048
  • 重原子数量:13
  • 复杂度:205
  • 同位素原子数量:0
  • 确定原子立构中心数量:0
  • 不确定原子立构中心数量:0
  • 确定化学键立构中心数量:0
  • 不确定化学键立构中心数量:0
  • 共价键单元数量:1
  • 疏水参数计算参考值(XlogP):2.1
  • 互变异构体数量:
  • 表面电荷:0
  • 拓扑分子极性表面积:50.2
实验特性
  • LogP:1.93300
  • PSA:50.19000
  • Merck:13,9784
  • 折射率:n20/D 1.358(lit.)
  • 沸点:405.6°C at 760 mmHg
  • 熔点:164 °C (dec.) (lit.)
  • 闪点:8 °F
  • 颜色与性状:未确定
  • 溶解性:未确定
  • 密度:0.932 g/mL at 20 °C(lit.)
国际标准相关数据
  • EINECS:207-639-6
海关数据
  • 海关编码:29334990
  • 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

    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%

专业数据库参考
参考资料
  • Reaxys RN:129177
  • Beilstein:22(5)3,221
相关文献
  • 1. A novel multi-component approach to the synthesis of pyrrolo[2,1-a]isoquinoline derivatives L. G. Voskressensky,T. N. Borisova,M. D. Matveeva,V. N. Khrustalev,A. V. Aksenov,A. A. Titov,A. E. Vartanova,A. V. Varlamov RSC Adv. 2016 6 74068
  • 2. X-Ray determination of the molecular structure of the novel antibiotic DC-52-d, 6-hydroxymethyl-3,12-imino-7-methoxy-13-methyl-1,2,3,4-tetrahydroazepino[1,2-b]isoquinoline-1-carboxylic acid Noriaki Hirayama,Kunikatsu Shirahata J. Chem. Soc. Perkin Trans. 2 1983 1705
  • 3. X-Ray determination of the molecular structure of the novel antibiotic DC-52-d, 6-hydroxymethyl-3,12-imino-7-methoxy-13-methyl-1,2,3,4-tetrahydroazepino[1,2-b]isoquinoline-1-carboxylic acid Noriaki Hirayama,Kunikatsu Shirahata J. Chem. Soc. Perkin Trans. 2 1983 1705
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