ChemSpider 2D Image | 1-[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(3-methoxybenzyl)methanamine | C21H23Cl2N3O

1-[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(3-methoxybenzyl)methanamine

  • Molecular FormulaC21H23Cl2N3O
  • Average mass404.333 Da
  • Monoisotopic mass403.121826 Da
  • ChemSpider ID22400877

More details:

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

1-[1-(2,6-Dichlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(3-methoxybenzyl)methanamin [German] [ACD/IUPAC Name]
1-[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(3-methoxybenzyl)methanamine [ACD/IUPAC Name]
1-[1-(2,6-Dichlorobenzyl)-3,5-diméthyl-1H-pyrazol-4-yl]-N-(3-méthoxybenzyl)méthanamine [French] [ACD/IUPAC Name]
1H-Pyrazole-4-methanamine, 1-[(2,6-dichlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3,5-dimethyl- [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: 544.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.3±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 8.61
ACD/KOC (pH 5.5): 30.13
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 421.14
ACD/KOC (pH 7.4): 1473.28
Polar Surface Area: 39 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 327.7±7.0 cm3

Click to predict properties on the Chemicalize site


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