Fenoctimine sulfate hemihydrate
[CAS# 69365-66-8]

Identification

• Name: Fenoctimine sulfate hemihydrate
• Synonyms: 1-(4-Benzhydryl-1-Piperidyl)-N-Octyl-Methanimine; Sulfuric Acid; Hydrate; 1-(4-Benzhydryl-1-Piperidinyl)-N-Octylmethanimine; Sulfuric Acid; Hydrate
• Molecular Formula: C₅₄H₈₂N₄O₉S₂
• Molecular Weight: 995.38
• CAS Registry Number: 69365-66-8
• SMILES: N1(CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C=NCCCCCCCC.C4(CCN(CC4)C=NCCCCCCCC)C(C5=CC=CC=C5)C6=CC=CC=C6.O=[S](O)(O)=O.O=[S](O)(O)=O.O
• InChI: 1S/2C27H38N2.2H2O4S.H2O/c2*1-2-3-4-5-6-13-20-28-23-29-21-18-26(19-22-29)27(24-14-9-7-10-15-24)25-16-11-8-12-17-25;2*1-5(2,3)4;/h2*7-12,14-17,23,26-27H,2-6,13,18-22H2,1H3;2*(H2,1,2,3,4);1H2
• InChIKey: DZLXKTCZFYOEES-UHFFFAOYSA-N

Properties

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