Cas no 56912-21-1 (3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dioctyl ester)
56912-21-1 structure
Product Name:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dioctyl ester
CAS No:56912-21-1
MF:C25H43NO4
MW:421.613228082657
CID:347396
PubChem ID:12237334
Update Time:2025-04-19
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dioctyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dioctyl ester
- dioctyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- DTXSID70481807
- 56912-21-1
- SCHEMBL8998715
-
- Inchi： 1S/C25H43NO4/c1-5-7-9-11-13-15-17-29-24(27)22-19-23(21(4)26-20(22)3)25(28)30-18-16-14-12-10-8-6-2/h26H,5-19H2,1-4H3
- InChI Key： UHFPEWBQJPWCKG-UHFFFAOYSA-N
- SMILES： O(C(C1=C(C)NC(C)=C(C(=O)OCCCCCCCC)C1)=O)CCCCCCCC
Computed Properties
- Exact Mass: 421.31939
- Monoisotopic Mass: 421.31920885g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 18
- Complexity: 542
- 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: 7.9
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dioctyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
56912-21-1 (3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dioctyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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