HCID12685481

Ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate

ethyl 3,5-dimethylimidazole-4-carboxylate

C8H12N2O2168.19 g/molCAS 35445-32-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1c(C)ncn1C
InChIKey: KJDJAZWOHDBZSZ-UHFFFAOYSA-N
分子式: C8H12N2O2
平均分子量: 168.19 g/mol
单同位素质量: 168.08987763

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 44.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 172

ALIASES

名称与别名

共 18 条

ETHYL 1,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLATE35445-32-0ETHYL 3,5-DIMETHYLIMIDAZOLE-4-CARBOXYLATEMFCD087036471,4-dimethyl-5-carbethoxyimidazole1H-Imidazole-5-carboxylic acid, 1,4-dimethyl-, ethyl esterEthyl 1,4-Dimethylimidazole-5-carboxylateEthyl1,4-dimethyl-1H-imidazole-5-carboxylateSCHEMBL5937208DTXSID00506850KJDJAZWOHDBZSZ-UHFFFAOYSA-NAKOS006290265DS-4424DA-34688SY046307CS-0151838W10855F234803

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04292431

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