Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
CAS 144689-93-0 · C12H20N2O3 · 240.30 g/mol
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
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3D模型Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate，CAS 144689-93-0，分子式C12H20N2O3, 摩尔质量 240.30 g/mol
关于 Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate 是一种化学品，登记号为 CAS 144689-93-0 ，分子式为 C12 H20 N2 O3 ，摩尔质量为 240.30 g/mol。
该分子包含 37 个原子，通过 37 个化学键连接。 该化合物的完整系统 IUPAC 名称为 ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate 。 上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。
在理化性质方面， 分配系数 logP = 1.5 (正值，亲脂性化合物)，极性表面积 PSA = 75.2 Ų ，2 个氢键供体和 4 个氢键受体。 这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。
该化合物的化学数据来自 PubChem （NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。
理化性质
Molecular formula C12 H20 N2 O3 Masa molowa 240.30 g/mol IUPAC ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate SMILES CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCCInChIKey KZBJJAFGNMRRHN-UHFFFAOYSA-NlogP (XLogP3) 1.5 PSA 75.2 Ų HBD / HBA 2 / 4 PubChem CID CID 10562026 ↗
GHS 安全
科学文献
Related literature 15 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar
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Cytowania: 2 $ Paywall DOI ↗ D.C. Vinay Kumar, B.S. Chethan, S. Neetha et al. (2026) · Journal of Molecular Structure
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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną
同义词
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate · Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate · RefChem:595198 · 604-434-7 · 144689-93-0 · Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate · Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate · 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylic acid ethyl ester · MFCD07787565 · Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate · Ethyl 4-(2-Hydroxy-2-propyl)-2-propyl-1H-imidazole-5-carboxylate · Olmesartan Impurity 63 · 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester · KZBJJAFGNMRRHN-UHFFFAOYSA-N · 1H-imidazole-4-carboxylic acid,5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl ester
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