ChemSpider 2D Image | 2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide | C14H17N7O4

2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide

  • Molecular FormulaC14H17N7O4
  • Average mass347.329 Da
  • Monoisotopic mass347.134216 Da
  • ChemSpider ID35034616

More details:






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

2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamid [German] [ACD/IUPAC Name]
2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide [ACD/IUPAC Name]
2-{[(2-Amino-5-pyrimidinyl)méthyl]amino}-4-[(2-hydroxyéthyl)amino]-5-nitrobenzamide [French] [ACD/IUPAC Name]
2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide
Benzamide, 2-[[(2-amino-5-pyrimidinyl)methyl]amino]-4-[(2-hydroxyethyl)amino]-5-nitro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 353.9±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 58.74
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.11
ACD/KOC (pH 7.4): 59.37
Polar Surface Area: 185 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 97.0±3.0 dyne/cm
Molar Volume: 222.3±3.0 cm3

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