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5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯 | 3543-74-6

5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯
1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2butanoic Acid Ethyl Ester
3543-74-6
C18H27N3O4
349.424684762955
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯结构式
13086945
名称和标识符
MDL MFCD09840918
InChIKey SJYOJVBTSZGDQH-UHFFFAOYSA-N
Inchi 1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3
SMILES OCCN(CCO)C1C=CC2=C(C=1)N=C(CCCC(=O)OCC)N2C
别名信息
- 中文别名 -
  • 5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯
  • [1-甲基-2-(4'-丁酸乙酯基)-5-N, N-二(2'-羟基乙基)]-1H -苯并咪唑
  • 5-(双(2-羟乙基)氨基)-1-甲基-1H-苯并咪唑-2-丁酸乙酯
  • 5-[双(2-羟乙基)氨基]-1-甲基-2-苯并咪唑基丁酸乙酯
  • 苯达莫司汀相关杂质1
  • 苯达莫司汀盐酸盐杂质 标准品
  • 盐酸苯达莫斯汀中间体
  • [ 1-甲基-2-( 4'-丁酸乙酯基)-5-N,N-二(2'-羟基乙基) ]-1H-苯并咪唑
  • 苯达莫司汀中间体5
- 英文别名 -
  • Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
  • [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
  • [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester Bendamustine Related
  • 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
  • [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester Bendamustine Related Impurity 1
  • [1-Methyl-5-bis(2'-hydroxyethyl)aMinobenziMidazolyl-2]butanoic Acid Ethyl Ester
  • 1-METHYL-5-BIS(2’-HYDROXYETHYL)AMINOBENZIMIDAZOLYL-2]BUTANOIC ACID ETHYL ESTER
  • 4-{5-[BIS-(2-HYDROXY-ETHYL)-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL}-BUTYRIC ACID ETHYL ESTER
  • ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
  • Ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoate
  • 1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
  • AC-6923
  • 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzoimidazol-2-yl}-butyric acid ethyl ester
  • 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-hydroxyethyl)amino)-1-methyl-, ethyl ester
  • UNII-AUL5NUY9I0
  • Ethyl4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
  • 3543-74-6
  • MFCD09840918
  • AM20090667
  • 5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
  • FT-0671562
  • 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzimidazol-2-yl}-butyric acid ethyl ester
  • F15054
  • 1-methyl-5-BIS(2-HYDROXYethyl)AMINOBENZIMIDAZOLYL-2-BUTANOIC ethyl ESTER
  • SCHEMBL365881
  • 4-(5-(Bis(2-hydroxyethyl)amino)-1-methylbenzimidazol-2-yl)butanoic acid ethyl ester
  • AS-19143
  • 1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
  • 2-NITRO-4-METHOXYCARBONYLBENZOICACID
  • A851849
  • [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
  • CS-0137734
  • AKOS015917969
  • AUL5NUY9I0
  • Ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl]butanoate
  • 4-[5-[Bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid ethyl ester
  • 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
  • BCP06804
  • DTXSID00517744
  • Ethyl 5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoate
物化性质
实验特性
LogP 1.25010
PSA 87.82000
折射率 1.572
沸点 580.6°C at 760 mmHg
熔点 98-111°C
蒸气压 0.0±1.7 mmHg at 25°C
闪点 305°C
颜色与性状 Powder
密度 1.21
计算特性
精确分子量 349.20000
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 11
同位素质量 349.20015635g/mol
重原子数量 25
复杂度 404
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) 1
拓扑分子极性表面积 87.8Ų
专业数据库参考
PubChemId 13086945
参考资料
Reaxys RN
5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯推荐生产厂家
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