[(3,4-Dimethoxyphenyl)-Isoquinolin-1-Ylmethyl] Benzoate
[CAS# 39971-70-5]

Identification

• Name: [(3,4-Dimethoxyphenyl)-Isoquinolin-1-Ylmethyl] Benzoate
• Synonyms: [(3,4-Dimethoxyphenyl)-(1-Isoquinolyl)Methyl] Benzoate; Benzoic Acid [(3,4-Dimethoxyphenyl)-(1-Isoquinolyl)Methyl] Ester; [(3,4-Dimethoxyphenyl)-Isoquinolin-1-Yl-Methyl] Benzoate
• Molecular Formula: C₂₅H₂₁NO₄
• Molecular Weight: 399.45
• CAS Registry Number: 39971-70-5
• SMILES: C1=CC=CC2=C1C(=NC=C2)C(C3=CC(=C(OC)C=C3)OC)OC(C4=CC=CC=C4)=O
• InChI: 1S/C25H21NO4/c1-28-21-13-12-19(16-22(21)29-2)24(30-25(27)18-9-4-3-5-10-18)23-20-11-7-6-8-17(20)14-15-26-23/h3-16,24H,1-2H3
• InChIKey: XZGKXUKUFJNPEL-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 565.946°C at 760 mmHg (Cal.)
• Flash point: 296.074°C (Cal.)