ChemSpider 2D Image | 1-[4-({Methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol | C21H33N5O2

1-[4-({Methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol

  • Molecular FormulaC21H33N5O2
  • Average mass387.519 Da
  • Monoisotopic mass387.263428 Da
  • ChemSpider ID22133077

More details:

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

1-[4-({Methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol [ACD/IUPAC Name]
1-[4-({Methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol [German] [ACD/IUPAC Name]
1-[4-({Méthyl[(1-méthyl-1H-pyrazol-4-yl)méthyl]amino}méthyl)phénoxy]-3-(4-méthyl-1-pipérazinyl)-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, 4-methyl-α-[[4-[[methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]- [ACD/Index Name]
1-[4-({METHYL[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]AMINO}METHYL)PHENOXY]-3-(4-METHYLPIPERAZIN-1-YL)PROPAN-2-OL
1-[4-({METHYL[(1-METHYLPYRAZOL-4-YL)METHYL]AMINO}METHYL)PHENOXY]-3-(4-METHYLPIPERAZIN-1-YL)PROPAN-2-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.63
Polar Surface Area: 57 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 334.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement