ChemSpider 2D Image | N'-{1-[(4-Aminocyclohexyl)methyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-N,N-dimethyl-1,4-butanediamine | C24H35N7

N'-{1-[(4-Aminocyclohexyl)methyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-N,N-dimethyl-1,4-butanediamine

  • Molecular FormulaC24H35N7
  • Average mass421.582 Da
  • Monoisotopic mass421.295380 Da
  • ChemSpider ID128980810

More details:

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

1,4-Butanediamine, N4-[1-[(4-aminocyclohexyl)methyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-N1,N1-dimethyl- [ACD/Index Name]
N'-{1-[(4-Aminocyclohexyl)methyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-N,N-dimethyl-1,4-butandiamin [German] [ACD/IUPAC Name]
N'-{1-[(4-Aminocyclohexyl)methyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-N,N-dimethyl-1,4-butanediamine [ACD/IUPAC Name]
N'-{1-[(4-Aminocyclohexyl)méthyl]-3-phényl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-N,N-diméthyl-1,4-butanediamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.3±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 340.1±7.0 cm3

Click to predict properties on the Chemicalize site


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