Cas no 1192613-40-3 (1-ethyl-1H-Imidazole-5-carboxylic acid ethyl ester)
1192613-40-3 structure
Product Name:1-ethyl-1H-Imidazole-5-carboxylic acid ethyl ester
CAS No:1192613-40-3
MF:C8H12N2O2
MW:168.193081855774
CID:1101225
PubChem ID:46222622
Update Time:2025-04-20
1-ethyl-1H-Imidazole-5-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-ethyl-1H-Imidazole-5-carboxylic acid ethyl ester
- SCHEMBL24793268
- DB-385050
- 1192613-40-3
- Ethyl 1-ethyl-1H-imidazole-5-carboxylate
-
- Inchi： 1S/C8H12N2O2/c1-3-10-6-9-5-7(10)8(11)12-4-2/h5-6H,3-4H2,1-2H3
- InChI Key： TWQYWZLYADSEDT-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN=CN1CC)=O
Computed Properties
- Exact Mass: 168.089877630g/mol
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 44.1?2
1-ethyl-1H-Imidazole-5-carboxylic acid ethyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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