4-[3-[2-(Dihexylamino)-2-Oxoethyl]-2-(4-Fluorophenyl)Indole-1-Carbonyl]Phthalic Acid
[CAS# 152842-64-3]

Identification

• Name: 4-[3-[2-(Dihexylamino)-2-Oxoethyl]-2-(4-Fluorophenyl)Indole-1-Carbonyl]Phthalic Acid
• Synonyms: 4-[3-[2-(Dihexylamino)-2-Oxo-Ethyl]-2-(4-Fluorophenyl)Indole-1-Carbonyl]Phthalic Acid; 4-[[3-[2-(Dihexylamino)-2-Oxoethyl]-2-(4-Fluorophenyl)-1-Indolyl]-Oxomethyl]Phthalic Acid; 4-[3-[2-(Dihexylamino)-2-Keto-Ethyl]-2-(4-Fluorophenyl)Indole-1-Carbonyl]Phthalic Acid
• Molecular Formula: C₃₇H₄₁FN₂O₆
• Molecular Weight: 628.74
• CAS Registry Number: 152842-64-3
• SMILES: C1=C(C(=CC=C1C(=O)[N]2C(=C(C3=C2C=CC=C3)CC(=O)N(CCCCCC)CCCCCC)C4=CC=C(C=C4)F)C(=O)O)C(=O)O
• InChI: 1S/C37H41FN2O6/c1-3-5-7-11-21-39(22-12-8-6-4-2)33(41)24-30-28-13-9-10-14-32(28)40(34(30)25-15-18-27(38)19-16-25)35(42)26-17-20-29(36(43)44)31(23-26)37(45)46/h9-10,13-20,23H,3-8,11-12,21-22,24H2,1-2H3,(H,43,44)(H,45,46)
• InChIKey: ZEOCZHBGCWLNDK-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 765.733°C at 760 mmHg (Cal.)
• Flash point: 416.9°C (Cal.)