ChemSpider 2D Image | 1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol | C25H38N4O3

1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol

  • Molecular FormulaC25H38N4O3
  • Average mass442.594 Da
  • Monoisotopic mass442.294403 Da
  • ChemSpider ID22159060

More details:

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

1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol [ACD/IUPAC Name]
1-[Cyclohexyl(methyl)amino]-3-(2-methoxy-4-{[(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}phenoxy)-2-propanol [German] [ACD/IUPAC Name]
1-[Cyclohexyl(méthyl)amino]-3-(2-méthoxy-4-{[(1,4,5,6-tétrahydrocyclopenta[c]pyrazol-3-ylméthyl)amino]méthyl}phénoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(cyclohexylmethylamino)-3-[2-methoxy-4-[[[(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl]amino]methyl]phenoxy]- [ACD/Index 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: 654.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 13.49
ACD/KOC (pH 7.4): 84.76
Polar Surface Area: 83 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 368.5±5.0 cm3

Click to predict properties on the Chemicalize site


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