Cas no 1402446-99-4 (1-cyclobutyl-1H-Imidazole-4-carboxylic acid ethyl ester)
1402446-99-4 structure
Product Name:1-cyclobutyl-1H-Imidazole-4-carboxylic acid ethyl ester
CAS No:1402446-99-4
MF:C10H14N2O2
MW:194.230362415314
CID:1105793
PubChem ID:86672132
Update Time:2025-04-20
1-cyclobutyl-1H-Imidazole-4-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-cyclobutyl-1H-Imidazole-4-carboxylic acid ethyl ester
- ethyl 1-cyclobutyl-1H-imidazole-4-carboxylate
- SCHEMBL12983979
- HTEAIMZHOAJKLG-UHFFFAOYSA-N
- DA-34665
- 1402446-99-4
-
- Inchi： 1S/C10H14N2O2/c1-2-14-10(13)9-6-12(7-11-9)8-4-3-5-8/h6-8H,2-5H2,1H3
- InChI Key： HTEAIMZHOAJKLG-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN(C=N1)C1CCC1)=O
Computed Properties
- Exact Mass: 194.105527694g/mol
- Monoisotopic Mass: 194.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 216
- 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: 1.4
- Topological Polar Surface Area: 44.1?2
1-cyclobutyl-1H-Imidazole-4-carboxylic acid ethyl ester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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