ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-N-(3,4-dimethoxybenzyl)-N',N'-dimethyl-1,4-benzenedisulfonamide | C25H34N2O6S2

N-[2-(1-Cyclohexen-1-yl)ethyl]-N-(3,4-dimethoxybenzyl)-N',N'-dimethyl-1,4-benzenedisulfonamide

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID994860

More details:

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

1,4-Benzenedisulfonamide, N1-[2-(1-cyclohexen-1-yl)ethyl]-N1-[(3,4-dimethoxyphenyl)methyl]-N4,N4-dimethyl- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-N-(3,4-dimethoxybenzyl)-N',N'-dimethyl-1,4-benzenedisulfonamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-N-(3,4-diméthoxybenzyl)-N',N'-diméthyl-1,4-benzènedisulfonamide [French] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-N-(3,4-dimethoxybenzyl)-N',N'-dimethyl-1,4-benzoldisulfonamid [German] [ACD/IUPAC Name]

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

ASN 04464002 [DBID]
ZINC00933222 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 350.9±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5415.12
ACD/KOC (pH 5.5): 16372.27
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5415.12
ACD/KOC (pH 7.4): 16372.27
Polar Surface Area: 110 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 419.5±3.0 cm3

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