Cas no 154475-18-0 (1-methyl-1H-Imidazole-2-carboxylic acid 1-methylethyl ester)
154475-18-0 structure
Product Name:1-methyl-1H-Imidazole-2-carboxylic acid 1-methylethyl ester
CAS No:154475-18-0
MF:C8H12N2O2
MW:168.193081855774
CID:106587
PubChem ID:10261481
Update Time:2025-04-18
1-methyl-1H-Imidazole-2-carboxylic acid 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-1H-Imidazole-2-carboxylic acid 1-methylethyl ester
- 1H-Imidazole-2-carboxylicacid, 1-methyl-, 1-methylethyl ester
- 1H-Imidazole-2-carboxylicacid,1-methyl-,1-methylethylester(9CI)
- Isopropyl 1-methyl-1H-imidazole-2-carboxylate
- 154475-18-0
- Propan-2-yl 1-methylimidazole-2-carboxylate
-
- Inchi： 1S/C8H12N2O2/c1-6(2)12-8(11)7-9-4-5-10(7)3/h4-6H,1-3H3
- InChI Key： LQZNHBSPQQLNKZ-UHFFFAOYSA-N
- SMILES： O(C(C1=NC=CN1C)=O)C(C)C
Computed Properties
- Exact Mass: 168.09000
- 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: 3
- Complexity: 170
- 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
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12000
- LogP: 0.98530
1-methyl-1H-Imidazole-2-carboxylic acid 1-methylethyl ester Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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