ChemSpider 2D Image | 1-(3-{[4-({3-[(1-Pyrenylmethyl)amino]propyl}amino)butyl]amino}propyl)guanidine | C28H38N6

1-(3-{[4-({3-[(1-Pyrenylmethyl)amino]propyl}amino)butyl]amino}propyl)guanidine

  • Molecular FormulaC28H38N6
  • Average mass458.642 Da
  • Monoisotopic mass458.315796 Da
  • ChemSpider ID23296971

More details:

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

1-(3-{[4-({3-[(1-Pyrenylmethyl)amino]propyl}amino)butyl]amino}propyl)guanidin [German] [ACD/IUPAC Name]
1-(3-{[4-({3-[(1-Pyrenylmethyl)amino]propyl}amino)butyl]amino}propyl)guanidine [ACD/IUPAC Name]
1-(3-{[4-({3-[(1-Pyrénylméthyl)amino]propyl}amino)butyl]amino}propyl)guanidine [French] [ACD/IUPAC Name]
1-(3-{[4-({3-[(pyren-1-ylmethyl)amino]propyl}amino)butyl]amino}propyl)guanidine
Guanidine, N-[3-[[4-[[3-[(1-pyrenylmethyl)amino]propyl]amino]butyl]amino]propyl]- [ACD/Index Name]
[3-[[4-[[3-[(1-pyrenemethyl)amino]propyl]amino]butyl]amino]propyl] guanidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 137.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 381.2±7.0 cm3

Click to predict properties on the Chemicalize site


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