3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester
[2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate
Also Known As: Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester|3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester|[2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate|2-Butyl-2,11-dimethyl-11-{[(pyridine-3-carbonyl)oxy]methyl}pentadecyl pyridine-3-carboxylate
CAS: 85018-82-2
| Molecular Formula | C34H52N2O4 |
|---|---|
| Molecular Weight | 552.3927 g/mol |
| LogP | 9.0042 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 552.3927 |
| Monoisotopic Mass | 552.3927 |
| Heavy Atoms | 40 |
| Complexity | 888.9217 |
Chemical Identifiers
| CAS Number | 85018-82-2 |
|---|---|
| SMILES | CCCCC(C)(CCCCCCCCC(C)(CCCC)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2 |
Product Overview
3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester (CAS 85018-82-2), with molecular formula C34H52N2O4 and molecular weight 552.3927 g/mol. IUPAC: [2-butyl-2,11-dimethyl-11-(pyridine-3-carbonyloxymethyl)pentadecyl] pyridine-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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