ChemSpider 2D Image | 2-Chloro-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine | C9H13ClN6O2

2-Chloro-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine

  • Molecular FormulaC9H13ClN6O2
  • Average mass272.691 Da
  • Monoisotopic mass272.078857 Da
  • ChemSpider ID56430914

More details:

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

2-Chlor-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-Chloro-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine [ACD/IUPAC Name]
2-Chloro-N-(4-méthyl-1-pipérazinyl)-5-nitro-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-chloro-N-(4-methyl-1-piperazinyl)-5-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 443.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.2±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 4.70
ACD/KOC (pH 7.4): 95.65
Polar Surface Area: 90 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 183.8±3.0 cm3

Click to predict properties on the Chemicalize site


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