ChemSpider 2D Image | 1-[(5-Chloro-2-pyrimidinyl)amino]-3-(methylsulfonyl)-2-propanol | C8H12ClN3O3S

1-[(5-Chloro-2-pyrimidinyl)amino]-3-(methylsulfonyl)-2-propanol

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID77442332

More details:

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

1-[(5-Chlor-2-pyrimidinyl)amino]-3-(methylsulfonyl)-2-propanol [German] [ACD/IUPAC Name]
1-[(5-Chloro-2-pyrimidinyl)amino]-3-(methylsulfonyl)-2-propanol [ACD/IUPAC Name]
1-[(5-Chloro-2-pyrimidinyl)amino]-3-(méthylsulfonyl)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(5-chloro-2-pyrimidinyl)amino]-3-(methylsulfonyl)- [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: 562.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.70
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.70
Polar Surface Area: 101 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 175.7±3.0 cm3

Click to predict properties on the Chemicalize site


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