Bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Base Information

• Chemical Name: Bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS No.: 85387-12-8
• Molecular Formula: C25H34N2O9
• Molecular Weight: 506.55
• DSSTox Substance ID: DTXSID901005842
• Mol file: 85387-12-8.mol

Synonyms:85387-12-8;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, bis(2-propoxyethyl) ester;bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;SCHEMBL10965655;DTXSID901005842;LS-131328

Chemical Property of Bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 2.75E-17mmHg at 25°C
• Boiling Point: 640.6°C at 760 mmHg
• PKA: 15.74±0.10(Predicted)
• Flash Point: 341.2°C
• PSA: 149.14000
• Density: 1.218g/cm³
• LogP: 3.59360
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 506.22643067
• Heavy Atom Count: 36
• Complexity: 819

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)CO)C

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