Cas no 7538-98-9 (1H-Imidazole, 2-ethyl-4-methyl-, monoacetate)
7538-98-9 structure
Product Name:1H-Imidazole, 2-ethyl-4-methyl-, monoacetate
CAS No:7538-98-9
MF:C8H14N2O2
MW:170.208961963654
CID:539638
PubChem ID:20518046
Update Time:2025-04-19
1H-Imidazole, 2-ethyl-4-methyl-, monoacetate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 2-ethyl-4-methyl-, monoacetate
- acetic acid,2-ethyl-5-methyl-1H-imidazole
- SCHEMBL11221125
- Acetic acid--2-ethyl-5-methyl-1H-imidazole (1/1)
- DTXSID20608320
- 2-ethyl-4-methyl-1H-imidazole acetate
- 7538-98-9
- 2-Ethyl-4-methyl imidazole acetate
-
- Inchi： 1S/C6H10N2.C2H4O2/c1-3-6-7-4-5(2)8-6;1-2(3)4/h4H,3H2,1-2H3,(H,7,8);1H3,(H,3,4)
- InChI Key： OBQCWYWUAMLDAT-UHFFFAOYSA-N
- SMILES： OC(C)=O.N1C(C)=CN=C1CC
Computed Properties
- Exact Mass: 170.10562
- Monoisotopic Mass: 170.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 104
- 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-ethyl-4-methyl-, monoacetate Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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