Cas no 521084-22-0 (1H-Imidazole-4-carboxylic acid, 1-pentyl-, methyl ester)
521084-22-0 structure
Product Name:1H-Imidazole-4-carboxylic acid, 1-pentyl-, methyl ester
CAS No:521084-22-0
MF:C10H16N2O2
MW:196.246242523193
CID:1575810
PubChem ID:17960632
Update Time:2025-04-21
1H-Imidazole-4-carboxylic acid, 1-pentyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-carboxylic acid, 1-pentyl-, methyl ester
- methyl 1-pentylimidazole-4-carboxylate
- 521084-22-0
- Methyl 1-pentyl-1H-imidazole-4-carboxylate
- SCHEMBL5726708
- methyl 1-pentyl-1H-imidazole 4-carboxylate
- MHAGAOCGZRPODX-UHFFFAOYSA-N
- DTXSID90591770
-
- Inchi： 1S/C10H16N2O2/c1-3-4-5-6-12-7-9(11-8-12)10(13)14-2/h7-8H,3-6H2,1-2H3
- InChI Key： MHAGAOCGZRPODX-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CN(C=N1)CCCCC)=O
Computed Properties
- Exact Mass: 196.12128
- Monoisotopic Mass: 196.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 185
- 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
Experimental Properties
- PSA: 44.12
1H-Imidazole-4-carboxylic acid, 1-pentyl-, methyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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