Hepronicate
[CAS# 7237-81-2]

Identification

• Name: Hepronicate
• Synonyms: 3-Pyridinecarboxylic Acid 2,2-Bis[[Oxo-(3-Pyridyl)Methoxy]Methyl]Octyl Ester; Nicotinic Acid 2,2-Bis(Pyridine-3-Carbonyloxymethyl)Octyl Ester; 2,2-Bis(Pyridin-3-Ylcarbonyloxymethyl)Octyl Pyridine-3-Carboxylate
• Molecular Formula: C₂₈H₃₁N₃O₆
• Molecular Weight: 505.57
• CAS Registry Number: 7237-81-2
• SMILES: C1=CC=NC=C1C(OCC(COC(C2=CC=CN=C2)=O)(COC(C3=CC=CN=C3)=O)CCCCCC)=O
• InChI: 1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3
• InChIKey: GUIBJJJLGSYNKE-UHFFFAOYSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 661.292°C at 760 mmHg (Cal.)
• Flash point: 353.737°C (Cal.)