Cas no 139964-24-2 (4-ethyl-2-propyl-1H-Imidazole-5-carboxylic acid methyl ester)
139964-24-2 structure
Product Name:4-ethyl-2-propyl-1H-Imidazole-5-carboxylic acid methyl ester
CAS No:139964-24-2
MF:C10H16N2O2
MW:196.246242523193
CID:1105742
PubChem ID:15819055
Update Time:2025-04-20
4-ethyl-2-propyl-1H-Imidazole-5-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-ethyl-2-propyl-1H-Imidazole-5-carboxylic acid methyl ester
- methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
- Methyl 4-ethyl-2-propyl-1h-imidazole-5-carboxylate
- DB-209368
- DTXSID10578588
- 139964-24-2
- XFYQBFXCDZFUQS-UHFFFAOYSA-N
- Methyl 4-ethyl-2-propylimidazole-5-carboxylate
- 5-Carbomethoxy-4-ethyl-2-n-propylimidazole
- SCHEMBL7398766
-
- Inchi： 1S/C10H16N2O2/c1-4-6-8-11-7(5-2)9(12-8)10(13)14-3/h4-6H2,1-3H3,(H,11,12)
- InChI Key： XFYQBFXCDZFUQS-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(CC)NC(CCC)=N1)=O
Computed Properties
- Exact Mass: 196.12128
- Monoisotopic Mass: 196.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 197
- 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: 2.3
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 54.98
4-ethyl-2-propyl-1H-Imidazole-5-carboxylic acid methyl ester Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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