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Search term: CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(Cn4cnc5c(N)ncnc45)cc3)cc2)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 9-[[4-[4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]purin-6-amine | C30H34N7

9-[[4-[4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]purin-6-amine

  • Molecular FormulaC30H34N7
  • Average mass492.637 Da
  • Monoisotopic mass492.287018 Da
  • ChemSpider ID28498624

  • Charge - Charge

More details:

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

1-[4-(4-{4-[(6-Amino-9H-purin-9-yl)methyl]phenyl}butyl)benzyl]-4-(dimethylamino)pyridinium [German] [ACD/IUPAC Name]
1-[4-(4-{4-[(6-Amino-9H-purin-9-yl)methyl]phenyl}butyl)benzyl]-4-(dimethylamino)pyridinium [ACD/IUPAC Name]
1-[4-(4-{4-[(6-Amino-9H-purin-9-yl)méthyl]phényl}butyl)benzyl]-4-(diméthylamino)pyridinium [French] [ACD/IUPAC Name]
Pyridinium, 1-[[4-[4-[4-[(6-amino-9H-purin-9-yl)methyl]phenyl]butyl]phenyl]methyl]-4-(dimethylamino)- [ACD/Index Name]

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: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.63
ACD/KOC (pH 5.5): 131.72
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.18
ACD/KOC (pH 7.4): 142.68
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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