ChemSpider 2D Image | 2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-5-nitro-4-{[2-(1-piperazinyl)ethyl]amino}benzamide | C18H25N9O3

2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-5-nitro-4-{[2-(1-piperazinyl)ethyl]amino}benzamide

  • Molecular FormulaC18H25N9O3
  • Average mass415.450 Da
  • Monoisotopic mass415.208038 Da
  • ChemSpider ID35033561

More details:

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

2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-5-nitro-4-{[2-(1-piperazinyl)ethyl]amino}benzamid [German] [ACD/IUPAC Name]
2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-5-nitro-4-{[2-(1-piperazinyl)ethyl]amino}benzamide [ACD/IUPAC Name]
2-{[(2-Amino-5-pyrimidinyl)méthyl]amino}-5-nitro-4-{[2-(1-pipérazinyl)éthyl]amino}benzamide [French] [ACD/IUPAC Name]
2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide
Benzamide, 2-[[(2-amino-5-pyrimidinyl)methyl]amino]-5-nitro-4-[[2-(1-piperazinyl)ethyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±35.7 °C
Index of Refraction: 1.701
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.78
Polar Surface Area: 180 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 294.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement