Cas no 7538-99-0 (1H-Imidazole, 2-methyl-, monoacetate)
7538-99-0 structure
Product Name:1H-Imidazole, 2-methyl-, monoacetate
CAS No:7538-99-0
MF:C6H10N2O2
MW:142.155801296234
CID:539637
PubChem ID:66726730
Update Time:2025-04-19
1H-Imidazole, 2-methyl-, monoacetate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 2-methyl-, monoacetate
- acetic acid,2-methyl-1H-imidazole
- SCHEMBL566317
- Acetic acid--2-methyl-1H-imidazole (1/1)
- 7538-99-0
- DTXSID60735649
-
- Inchi： 1S/C4H6N2.C2H4O2/c1-4-5-2-3-6-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4)
- InChI Key： PYBVIVSKAOAMAV-UHFFFAOYSA-N
- SMILES： OC(C)=O.N1C=CN=C1C
Computed Properties
- Exact Mass: 142.0743
- Monoisotopic Mass: 142.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 75.8
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 65.98
1H-Imidazole, 2-methyl-, monoacetate Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
7538-99-0 (1H-Imidazole, 2-methyl-, monoacetate) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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