Cas no 896448-27-4 (1H-Imidazole-1-carboxylic acid, 1-ethylpropyl ester)
896448-27-4 structure
Product Name:1H-Imidazole-1-carboxylic acid, 1-ethylpropyl ester
CAS No:896448-27-4
MF:C9H14N2O2
MW:182.219662189484
CID:1943461
PubChem ID:11608034
Update Time:2025-04-21
1H-Imidazole-1-carboxylic acid, 1-ethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-carboxylic acid, 1-ethylpropyl ester
- SCHEMBL1740337
- 1-Ethylpropyl 1H-imidazole-1-carboxylate
- DB-391021
- 896448-27-4
-
- Inchi： 1S/C9H14N2O2/c1-3-8(4-2)13-9(12)11-6-5-10-7-11/h5-8H,3-4H2,1-2H3
- InChI Key： GYIXAYNYUVMCGF-UHFFFAOYSA-N
- SMILES： O(C(N1C=NC=C1)=O)C(CC)CC
Computed Properties
- Exact Mass: 182.105527694Da
- Monoisotopic Mass: 182.105527694Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 169
- 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: 1.9
- Topological Polar Surface Area: 44.1?2
1H-Imidazole-1-carboxylic acid, 1-ethylpropyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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