ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-N-(3,4-dibromobenzyl)-2-pyrimidinamine | C18H13Br2N3O2

4-(1,3-Benzodioxol-5-yl)-N-(3,4-dibromobenzyl)-2-pyrimidinamine

  • Molecular FormulaC18H13Br2N3O2
  • Average mass463.123 Da
  • Monoisotopic mass460.937439 Da
  • ChemSpider ID26646236

More details:

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

2-Pyrimidinamine, 4-(1,3-benzodioxol-5-yl)-N-[(3,4-dibromophenyl)methyl]- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-N-(3,4-dibrombenzyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-N-(3,4-dibromobenzyl)-2-pyrimidinamine [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-N-(3,4-dibromobenzyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 626.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2904.08
ACD/KOC (pH 5.5): 10456.82
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2927.79
ACD/KOC (pH 7.4): 10542.21
Polar Surface Area: 56 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 264.9±3.0 cm3

Click to predict properties on the Chemicalize site


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