Cas no 62838-69-1 (1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(4-pyridinyl)-)
62838-69-1 structure
Product Name:1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(4-pyridinyl)-
CAS No:62838-69-1
MF:C15H14N2O3
MW:270.283263683319
CID:430108
PubChem ID:12326835
Update Time:2025-04-19
1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(4-pyridinyl)-
- 1-(2-ethoxypyridin-3-yl)-3-pyridin-4-ylpropane-1,3-dione
- DTXSID70489727
- 62838-69-1
- 1-(2-Ethoxypyridin-3-yl)-3-(pyridin-4-yl)propane-1,3-dione
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- Inchi： 1S/C15H14N2O3/c1-2-20-15-12(4-3-7-17-15)14(19)10-13(18)11-5-8-16-9-6-11/h3-9H,2,10H2,1H3
- InChI Key： DSUQIVGKETULGG-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC=CN=1)C(CC(C1C=CN=CC=1)=O)=O
Computed Properties
- Exact Mass: 270.10052
- Monoisotopic Mass: 270.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 340
- 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: 1.6
- Topological Polar Surface Area: 69.2?2
Experimental Properties
- PSA: 69.15
1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(4-pyridinyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
62838-69-1 (1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(4-pyridinyl)-) Related Products
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