Cas no 149096-33-3 (1H-Imidazole-5-carboxylicacid, 1-propyl-, methyl ester)
149096-33-3 structure
Product Name:1H-Imidazole-5-carboxylicacid, 1-propyl-, methyl ester
CAS No:149096-33-3
MF:C8H12N2O2
MW:168.193081855774
CID:100318
PubChem ID:15047452
Update Time:2025-04-18
1H-Imidazole-5-carboxylicacid, 1-propyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazole-5-carboxylicacid, 1-propyl-, methyl ester
- 1H-Imidazole-5-carboxylicacid,1-propyl-,methylester(9CI)
- METHYL 3-PROPYLIMIDAZOLE-4-CARBOXYLATE
- methyl 1-propyl-1H-imidazole-5-carboxylate
- 149096-33-3
-
- Inchi： 1S/C8H12N2O2/c1-3-4-10-6-9-5-7(10)8(11)12-2/h5-6H,3-4H2,1-2H3
- InChI Key： KPVOYVGXWJOQDK-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CN=CN1CCC)=O
Computed Properties
- Exact Mass: 168.089877630g/mol
- 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: 4
- 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: 1
- Topological Polar Surface Area: 44.1?2
1H-Imidazole-5-carboxylicacid, 1-propyl-, methyl ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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