Ciclonicate
[CAS# 53449-58-4]

Identification

• Name: Ciclonicate
• Synonyms: 3-Pyridinecarboxylic Acid [(5S)-3,3,5-Trimethylcyclohexyl] Ester; Nicotinic Acid [(5S)-3,3,5-Trimethylcyclohexyl] Ester; Bled
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.34
• CAS Registry Number: 53449-58-4
• EINECS: 258-561-4
• SMILES: [C@@H]2(CC(CC(OC(C1=CC=CN=C1)=O)C2)(C)C)C
• InChI: 1S/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3/t11-,13?/m1/s1
• InChIKey: GQSGZTBDVNUIQS-JTDNENJMSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 325.707°C at 760 mmHg (Cal.)
• Flash point: 150.782°C (Cal.)