1-(1,3-Benzodioxol-5-Ylmethyl)-6,7-Dimethoxy-4-[(2S)-1-Methylpyrrolidin-2-Yl]Isoquinoline
[CAS# 53912-94-0]

Identification

• Name: 1-(1,3-Benzodioxol-5-Ylmethyl)-6,7-Dimethoxy-4-[(2S)-1-Methylpyrrolidin-2-Yl]Isoquinoline
• Synonyms: 1-(1,3-Benzodioxol-5-Ylmethyl)-6,7-Dimethoxy-4-[(2S)-1-Methyl-2-Pyrrolidinyl]Isoquinoline
• Molecular Formula: C₂₄H₂₆N₂O₄
• Molecular Weight: 406.48
• CAS Registry Number: 53912-94-0
• SMILES: [C@H]5(C1=CN=C(C2=CC(=C(C=C12)OC)OC)CC4=CC=C3OCOC3=C4)N(CCC5)C
• InChI: 1S/C24H26N2O4/c1-26-8-4-5-20(26)18-13-25-19(9-15-6-7-21-24(10-15)30-14-29-21)17-12-23(28-3)22(27-2)11-16(17)18/h6-7,10-13,20H,4-5,8-9,14H2,1-3H3/t20-/m0/s1
• InChIKey: XISGRFQSYRKPNQ-FQEVSTJZSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 552.497°C at 760 mmHg (Cal.)
• Flash point: 287.94°C (Cal.)