ChemSpider 2D Image | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE | C20H19ClN4O5

N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE

  • Molecular FormulaC20H19ClN4O5
  • Average mass430.842 Da
  • Monoisotopic mass430.104401 Da
  • ChemSpider ID22376395

More details:

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

2,4-Pyrimidinediamine, N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE
N4-(5-Chlor-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-(5-Chloro-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-(5-Chloro-1,3-benzodioxol-4-yl)-N2-(3,4,5-triméthoxyphényl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
4-N-(5-chloro-2H-1,3-benzodioxol-4-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
7X2
N'-(5-Chloro-1,3-Benzodioxol-4-Yl)-N-(3,4,5-Trimethoxyphenyl)pyrimidine-2,4-Diamine
N4-(5-chloro-2H-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 568.9±60.0 °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: 297.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 212.28
ACD/KOC (pH 5.5): 1511.61
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.98
ACD/KOC (pH 7.4): 1886.93
Polar Surface Area: 96 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 303.1±3.0 cm3

Click to predict properties on the Chemicalize site


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