Cas no 62695-42-5 (1H-Imidazole, 2-ethyl-4-methyl-, diacetate)
62695-42-5 structure
Product Name:1H-Imidazole, 2-ethyl-4-methyl-, diacetate
CAS No:62695-42-5
MF:C10H18N2O4
MW:230.260922908783
CID:434846
PubChem ID:71383723
Update Time:2025-04-19
1H-Imidazole, 2-ethyl-4-methyl-, diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 2-ethyl-4-methyl-, diacetate
- acetic acid,2-ethyl-5-methyl-1H-imidazole
- DTXSID60806020
- Acetic acid--2-ethyl-5-methyl-1H-imidazole (2/1)
- 62695-42-5
-
- Inchi: 1S/C6H10N2.2C2H4O2/c1-3-6-7-4-5(2)8-6;2*1-2(3)4/h4H,3H2,1-2H3,(H,7,8);2*1H3,(H,3,4)
- InChI Key: CWJGWULLAREBSU-UHFFFAOYSA-N
- SMILES: OC(C)=O.OC(C)=O.N1C(C)=CN=C1CC
Computed Properties
- Exact Mass: 230.12674
- Monoisotopic Mass: 230.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 104
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 103.28
1H-Imidazole, 2-ethyl-4-methyl-, diacetate Related Literature
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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