Nicoclonate
[CAS# 10571-59-2]

Identification

• Name: Nicoclonate
• Synonyms: [1-(4-Chlorophenyl)-2-Methyl-Propyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [1-(4-Chlorophenyl)-2-Methylpropyl] Ester; Nicotinic Acid [1-(4-Chlorophenyl)-2-Methyl-Propyl] Ester
• Molecular Formula: C₁₆H₁₆ClNO₂
• Molecular Weight: 289.76
• CAS Registry Number: 10571-59-2
• EINECS: 234-156-8
• SMILES: C1=CC(=CC=C1C(OC(C2=CN=CC=C2)=O)C(C)C)Cl
• InChI: 1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3
• InChIKey: XPPXHQUWVYMTDM-UHFFFAOYSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 390.071°C at 760 mmHg (Cal.)
• Flash point: 189.709°C (Cal.)