ChemSpider 2D Image | N-(4-Methoxybenzyl)-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3,5-triazine-2,4-diamine | C20H25N9O

N-(4-Methoxybenzyl)-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC20H25N9O
  • Average mass407.472 Da
  • Monoisotopic mass407.218201 Da
  • ChemSpider ID28633329

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[(4-methoxyphenyl)methyl]-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]- [ACD/Index Name]
N-(4-Methoxybenzyl)-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-(4-Methoxybenzyl)-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-(4-Méthoxybenzyl)-6-{[4-(2-pyrimidinyl)-1-pipérazinyl]méthyl}-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.1±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 3.42
ACD/KOC (pH 5.5): 64.04
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.64
ACD/KOC (pH 7.4): 161.96
Polar Surface Area: 118 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 303.6±3.0 cm3

Click to predict properties on the Chemicalize site


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