ChemSpider 2D Image | N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[1-(4-methoxybenzyl)-4-piperidinyl]-N-methyl-2-phenylethanamine | C28H38N4O

N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[1-(4-methoxybenzyl)-4-piperidinyl]-N-methyl-2-phenylethanamine

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID22151153

More details:






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

4-Piperidinemethanamine, N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]-N-methyl-α-(phenylmethyl)- [ACD/Index Name]
N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[1-(4-methoxybenzyl)-4-piperidinyl]-N-methyl-2-phenylethanamin [German] [ACD/IUPAC Name]
N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-[1-(4-methoxybenzyl)-4-piperidinyl]-N-methyl-2-phenylethanamine [ACD/IUPAC Name]
N-[(1,3-Diméthyl-1H-pyrazol-4-yl)méthyl]-1-[1-(4-méthoxybenzyl)-4-pipéridinyl]-N-méthyl-2-phényléthanamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 10.21
ACD/KOC (pH 7.4): 41.56
Polar Surface Area: 34 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 409.0±7.0 cm3

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