ChemSpider 2D Image | 2-[(2-Chloro-6-methyl-5-nitro-4-pyrimidinyl)amino]-1,3-propanediol | C8H11ClN4O4

2-[(2-Chloro-6-methyl-5-nitro-4-pyrimidinyl)amino]-1,3-propanediol

  • Molecular FormulaC8H11ClN4O4
  • Average mass262.650 Da
  • Monoisotopic mass262.046875 Da
  • ChemSpider ID56430633

More details:

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

1,3-Propanediol, 2-[(2-chloro-6-methyl-5-nitro-4-pyrimidinyl)amino]- [ACD/Index Name]
2-[(2-Chlor-6-methyl-5-nitro-4-pyrimidinyl)amino]-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(2-Chloro-6-methyl-5-nitro-4-pyrimidinyl)amino]-1,3-propanediol [ACD/IUPAC Name]
2-[(2-Chloro-6-méthyl-5-nitro-4-pyrimidinyl)amino]-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 590.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.84
ACD/KOC (pH 5.5): 107.66
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 107.66
Polar Surface Area: 124 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site


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