1641-74-3 (枸橼酸烟胺乙酯,2-(Diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylate)

CAS号:
1641-74-3
中文名称:
枸橼酸烟胺乙酯
英文名称:
2-(Diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylate
分子式:
C18H26N2O9
分子量:
414.407045841217

枸橼酸烟胺乙酯(1641-74-3)名称与标识符

名称

中文别名:
枸橼酸烟胺乙酯;[2-(3-吡啶甲酰氧)乙基]-二乙基胺柠檬酸盐;二甲硫基甲烷;枸缘酸烟氨乙酯;构橼酸烟胺乙酯;柠檬酸烟胺乙酯;
英文别名:
2-(Diethylamino)ethyl nicotinate 2-hydroxypropane-1,2,3-tricarboxylate;Diethyl[2-(3-pyridiniocarbonyloxy)ethyl]ammonium hydrogen citrate;2-(diethylamino)ethyl pyridine-3-carboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid;NICAMETATE CITRATE;53 IIC;Euclidan;Euclidan,citrate;Eut;Manlate;Nicametate dihydrogen citrate;Provasan;Soclidan;3-Diethylaminoethoxycarbonylpyridine citrate;NICOTINIC ACID 2-DIETHYLAMINO-ETHYL ESTER CITRATE;53-11 C;2-(diethylamino)ethyl pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid;CHEMBL3188119;CAS-1641-74-3;D01232;NSC-169477;3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Nicametate citrate (JAN);Tox21_112576;Q27252829;Nicametate citrate [JAN];NICAMETATE DIHYDROGEN CITRATE [WHO-DD];DTXSID4046733;EINECS 216-694-5;NUTRIN;C18H26N2O9;1S708RDJ0V;Euclidan, citrate;CHEBI:31901;UNII-1S708RDJ0V;1641-74-3;Diethyl(2-(3-pyridiniocarbonyloxy)ethyl)ammonium hydrogen citrate;NSC169477;Eucast;FT-0703285;3-Pyridinecarboxylic acid, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, citrate (1:1);BS-52916;E85625;DTXCID2026733;AKOS015901251;Nicotinic acid, citrate (1:1);Nicotinic acid, 2-(diethylamino)ethyl ester, citrate (1:1);NS00083452;2-Diethylaminoethyl nicotinate citrate;SCHEMBL194781;Diethyl[2-(3-pyridiniocarbonyloxy)ethyl]ammoniumhydrogencitrate;NSC 169477;IABBAGAOMDWOCW-UHFFFAOYSA-N;3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI);

标识符

MDL:
MFCD00058358
InChIKey:
IABBAGAOMDWOCW-UHFFFAOYSA-N
Inchi:
1S/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES:
OC(C(=O)O)(CC(=O)O)CC(=O)O.O(C(C1C=NC=CC=1)=O)CCN(CC)CC

枸橼酸烟胺乙酯(1641-74-3)物化性质

实验特性

  • LogP : 0.33170
  • PSA : 174.56000
  • 沸点 : 311.9 °C at 760 mmHg
  • 闪点 : 142.4 °C

计算特性

  • 精确分子量 : 414.16400
  • 氢键供体数量 : 4
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 12
  • 同位素质量 : 414.164
  • 重原子数量 : 29
  • 复杂度 : 433
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 175A^2

枸橼酸烟胺乙酯(1641-74-3)国际标准相关数据

EINECS:
216-694-5

枸橼酸烟胺乙酯(1641-74-3)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 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

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%