ChemSpider 2D Image | N-(Diethoxymethyl)-5-nitro-4,6-pyrimidinediamine | C9H15N5O4

N-(Diethoxymethyl)-5-nitro-4,6-pyrimidinediamine

  • Molecular FormulaC9H15N5O4
  • Average mass257.246 Da
  • Monoisotopic mass257.112396 Da
  • ChemSpider ID21673320

More details:






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

4,6-Pyrimidinediamine, N4-(diethoxymethyl)-5-nitro- [ACD/Index Name]
N-(Diethoxymethyl)-5-nitro-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
N-(Diethoxymethyl)-5-nitro-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-(Diéthoxyméthyl)-5-nitro-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N4-(diethoxymethyl)-5-nitropyrimidine-4,6-diamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.1±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.15
ACD/KOC (pH 5.5): 169.71
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.16
ACD/KOC (pH 7.4): 169.85
Polar Surface Area: 128 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 188.6±3.0 cm3

Click to predict properties on the Chemicalize site






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