ChemSpider 2D Image | 1-(4-{5-[(6,7-Dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy}benzyl)-6,7-dimethoxy-2-methylisoquinolinium | C39H40N2O6

1-(4-{5-[(6,7-Dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy}benzyl)-6,7-dimethoxy-2-methylisoquinolinium

  • Molecular FormulaC39H40N2O6
  • Average mass632.744 Da
  • Monoisotopic mass632.287537 Da
  • ChemSpider ID65848

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-{5-[(6,7-Dimethoxy-2-methyl-1-isochinoliniumyl)methyl]-2-methoxyphenoxy}benzyl)-6,7-dimethoxy-2-methylisochinolinium [German] [ACD/IUPAC Name]
1-(4-{5-[(6,7-Diméthoxy-2-méthyl-1-isoquinoléiniumyl)méthyl]-2-méthoxyphénoxy}benzyl)-6,7-diméthoxy-2-méthylisoquinoléinium [French] [ACD/IUPAC Name]
1-(4-{5-[(6,7-Dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy}benzyl)-6,7-dimethoxy-2-methylisoquinolinium [ACD/IUPAC Name]
27670-80-0 [RN]
Isoquinolinium, 1-((4-(5-((6,7-dimethoxy-2-methylisoquinolinium-1-yl)methyl)-2-methoxyphenoxy)phenyl)methyl)-6,7-dimethoxy-2-methyl-
Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methyl-1-isoquinoliniumyl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl- [ACD/Index Name]
Isoquinolinium, 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolinium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-
phaeantharine
Phaeanthrine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09608 [DBID]
NCI60_002811 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability:
Surface Tension:
Molar Volume:

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