ChemSpider 2D Image | 5-(4-Nitrobenzyl)-2,4-pyrimidinediamine | C11H11N5O2

5-(4-Nitrobenzyl)-2,4-pyrimidinediamine

  • Molecular FormulaC11H11N5O2
  • Average mass245.237 Da
  • Monoisotopic mass245.091278 Da
  • ChemSpider ID21391217

More details:






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

2,4-Pyrimidinediamine, 5-[(4-nitrophenyl)methyl]- [ACD/Index Name]
5-(4-Nitrobenzyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-(4-Nitrobenzyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-(4-Nitrobenzyl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-(4-Nitrobenzyl)pyrimidine-2,4-diamine
10.1021/jm00105a008
2,4-Diamino-5-(4-nitrobenzyl)pyrimidine
5-(4-Nitro-benzyl)-pyrimidine-2,4-diamine
5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine
69945-52-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 561.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.2±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.40
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 5.96
ACD/KOC (pH 7.4): 117.11
Polar Surface Area: 124 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 171.7±3.0 cm3

Click to predict properties on the Chemicalize site






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