Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester

Base Information

• Chemical Name: Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester
• CAS No.: 85018-82-2
• Molecular Formula: C34H52N2O4
• Molecular Weight: 552.79
• DSSTox Substance ID: DTXSID101005367
• Mol file: 85018-82-2.mol

Synonyms:Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester;85018-82-2;3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester;DTXSID101005367;LS-130809;2-Butyl-2,11-dimethyl-11-{[(pyridine-3-carbonyl)oxy]methyl}pentadecyl pyridine-3-carboxylate

Chemical Property of Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester

Chemical Property:

• Vapor Pressure: 3.26E-15mmHg at 25°C
• Boiling Point: 618.2°C at 760 mmHg
• PKA: 3.50±0.10(Predicted)
• Flash Point: 327.7°C
• Density: 1.018g/cm³
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 23
• Exact Mass: 552.39270814
• Heavy Atom Count: 40
• Complexity: 643

Purity/Quality:

NICOTINIC ACID, 2,11-DIBUTYL-2,11-DIMETHYLDODECAMETHYLENE ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C)(CCCCCCCCC(C)(CCCC)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2

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