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)

CAS号:
3543-74-6
中文名称:
5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯
英文名称:
1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2butanoic Acid Ethyl Ester
分子式:
C18H27N3O4
分子量:
349.424684762955

5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯(3543-74-6)名称与标识符

名称

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;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;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;C18H27N3O4;ETHYL 4-{5-[BIS(2-HYDROXYETHYL)AMINO]-1-METHYL-1,3-BENZODIAZOL-2-YL}BUTANOATE;SJYOJVBTSZGDQH-UHFFFAOYSA-N;[1-Methyl-5-bis(2\\'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester;

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

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

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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)参考资料

Reaxys RN:
PubChem CID: