ChemSpider 2D Image | 3-{[2-(Methylsulfonyl)-5-nitrophenyl]amino}-1-propanol | C10H14N2O5S

3-{[2-(Methylsulfonyl)-5-nitrophenyl]amino}-1-propanol

  • Molecular FormulaC10H14N2O5S
  • Average mass274.294 Da
  • Monoisotopic mass274.062347 Da
  • ChemSpider ID30782940

More details:






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

1437795-14-6 [RN]
1-Propanol, 3-[[2-(methylsulfonyl)-5-nitrophenyl]amino]- [ACD/Index Name]
3-{[2-(Methylsulfonyl)-5-nitrophenyl]amino}-1-propanol [German] [ACD/IUPAC Name]
3-{[2-(Methylsulfonyl)-5-nitrophenyl]amino}-1-propanol [ACD/IUPAC Name]
3-{[2-(Méthylsulfonyl)-5-nitrophényl]amino}-1-propanol [French] [ACD/IUPAC Name]
[1437795-14-6]
3-[(2-Methanesulfonyl-5-nitrophenyl)amino]propan-1-ol
AN-3410
MFCD24448762

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 65.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 46.18
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.18
Polar Surface Area: 121 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

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