ChemSpider 2D Image | N-(3-Methoxypropyl)-2,4-bis(methylsulfonyl)aniline | C12H19NO5S2

N-(3-Methoxypropyl)-2,4-bis(methylsulfonyl)aniline

  • Molecular FormulaC12H19NO5S2
  • Average mass321.413 Da
  • Monoisotopic mass321.070465 Da
  • ChemSpider ID26177611

More details:

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

Benzenamine, N-(3-methoxypropyl)-2,4-bis(methylsulfonyl)- [ACD/Index Name]
N-(3-Methoxypropyl)-2,4-bis(methylsulfonyl)anilin [German] [ACD/IUPAC Name]
N-(3-Methoxypropyl)-2,4-bis(methylsulfonyl)aniline [ACD/IUPAC Name]
N-(3-Méthoxypropyl)-2,4-bis(méthylsulfonyl)aniline [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.32
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 74.32
Polar Surface Area: 106 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


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