Cas no 10444-12-9 (Diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate)
10444-12-9 structure
Product Name:Diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate
CAS No:10444-12-9
MF:C12H19NO4
MW:241.28356385231
CID:1143128
PubChem ID:3820540
Update Time:2025-04-20
Diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate
- CTK0G6328
- diethyl 2-(cyanomethyl)-2-ethylmalonate
- Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester
- ethyl-(2-cyano-ethyl)-malonic acid diethyl ester
- Aethyl-(2-cyan-aethyl)-malonsaeure-diaethylester
- ZINC05307676
- AC1MXS8A
- CTK0G6328; diethyl 2-(cyanomethyl)-2-ethylmalonate; Propanedioic acid, (2-cyanoethyl)ethyl-, diethyl ester; ethyl-(2-cyano-ethyl)-malonic acid diethyl ester; Aethyl-(2-cyan-aethyl)-malonsaeure-diaethylester; ZINC05307676; AC1MXS8A;
- DTXSID90396868
- 10444-12-9
-
- Inchi： 1S/C12H19NO4/c1-4-12(8-7-9-13,10(14)16-5-2)11(15)17-6-3/h4-8H2,1-3H3
- InChI Key： GSWKMAHBAVRRAK-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC)CCC#N)=O
Computed Properties
- Exact Mass: 241.13140809g/mol
- Monoisotopic Mass: 241.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 298
- 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: 1.7
- Topological Polar Surface Area: 76.4?2
Diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
10444-12-9 (Diethyl 2-(2-cyanoethyl)-2-ethylpropanedioate) Related Products
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