Cas no 78449-68-0 (1H-Imidazole-5-carboxylicacid, 1-ethyl-4-methyl-)
78449-68-0 structure
Product Name:1H-Imidazole-5-carboxylicacid, 1-ethyl-4-methyl-
CAS No:78449-68-0
MF:C7H10N2O2
MW:154.166501522064
CID:553151
PubChem ID:12685486
Update Time:2025-04-19
1H-Imidazole-5-carboxylicacid, 1-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carboxylicacid, 1-ethyl-4-methyl-
- 1H-Imidazole-5-carboxylicacid,1-ethyl-4-methyl-(9CI)
- 1-ethyl-4-methyl-1H-Imidazole-5-carboxylic acid
- 3-ethyl-5-methylimidazole-4-carboxylic acid
- 78449-68-0
- DTXSID20506852
- SCHEMBL7987138
-
- Inchi： 1S/C7H10N2O2/c1-3-9-4-8-5(2)6(9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
- InChI Key： IVRLKXWMRLCMPV-UHFFFAOYSA-N
- SMILES： OC(C1=C(C)N=CN1CC)=O
Computed Properties
- Exact Mass: 154.074227566g/mol
- Monoisotopic Mass: 154.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- 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: 0.6
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- Density: 1.23
1H-Imidazole-5-carboxylicacid, 1-ethyl-4-methyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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