Cas no 76100-28-2 (1H-Imidazole-4,5-dicarboxylic acid, 2-butyl-, dimethyl ester)
76100-28-2 structure
Product Name:1H-Imidazole-4,5-dicarboxylic acid, 2-butyl-, dimethyl ester
CAS No:76100-28-2
MF:C11H16N2O4
MW:240.255743026733
CID:538351
PubChem ID:14955796
Update Time:2025-04-19
1H-Imidazole-4,5-dicarboxylic acid, 2-butyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4,5-dicarboxylic acid, 2-butyl-, dimethyl ester
- dimethyl 2-butyl-1H-imidazole-4,5-dicarboxylate
- XODOWGJPVFJPEU-UHFFFAOYSA-N
- dimethyl 2-butylimidazole-4,5-dicarboxylate
- Dimethyl 2-butylimidazol-4,5-dicarboxylic acid
- 2-n-butyl-1H-imidazole-4,5-dicarboxylic acid, dimethyl ester
- SCHEMBL7303318
- DTXSID50566045
- 76100-28-2
-
- Inchi： 1S/C11H16N2O4/c1-4-5-6-7-12-8(10(14)16-2)9(13-7)11(15)17-3/h4-6H2,1-3H3,(H,12,13)
- InChI Key： XODOWGJPVFJPEU-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C(=O)OC)N=C(CCCC)N1)=O
Computed Properties
- Exact Mass: 240.11108
- Monoisotopic Mass: 240.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 283
- 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: 2.2
- Topological Polar Surface Area: 81.3?2
Experimental Properties
- PSA: 81.28
1H-Imidazole-4,5-dicarboxylic acid, 2-butyl-, dimethyl ester Related Literature
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1. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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