Fenoctimine
[CAS# 84132-11-6]

Identification

• Name: Fenoctimine
• Synonyms: 1-(4-Benzhydryl-1-Piperidyl)-N-Octyl-Methanimine; But-2-Enedioic Acid; 1-(4-Benzhydryl-1-Piperidinyl)-N-Octylmethanimine; But-2-Enedioic Acid; (4-Benzhydryl-1-Piperidyl)Methylene-Octyl-Amine; But-2-Enedioic Acid
• Molecular Formula: C₃₁H₄₂N₂O₄
• Molecular Weight: 506.68
• CAS Registry Number: 84132-11-6
• SMILES: O=C(O)\C=C\C(=O)O.C3=C(C(C1CCN(CC1)C=NCCCCCCCC)C2=CC=CC=C2)C=CC=C3
• InChI: 1S/C27H38N2.C4H4O4/c1-2-3-4-5-6-13-20-28-23-29-21-18-26(19-22-29)27(24-14-9-7-10-15-24)25-16-11-8-12-17-25;5-3(6)1-2-4(7)8/h7-12,14-17,23,26-27H,2-6,13,18-22H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: KRTMQDOLKIGPAH-WLHGVMLRSA-N

Properties

• Boiling point: 509.7°C at 760 mmHg (Cal.)
• Flash point: 262.1°C (Cal.)