ChemSpider 2D Image | N'-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-({[{[2-(3,4-dimethoxyphenyl)ethyl]imino}(hydroxy)methyl]amino}methyl)-3,5,5-trimethylcyclohexyl]carbamimidic acid | C32H48N4O6

N'-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-({[{[2-(3,4-dimethoxyphenyl)ethyl]imino}(hydroxy)methyl]amino}methyl)-3,5,5-trimethylcyclohexyl]carbamimidic acid

  • Molecular FormulaC32H48N4O6
  • Average mass584.747 Da
  • Monoisotopic mass584.357361 Da
  • ChemSpider ID57300107

More details:

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

Acide N'-[2-(3,4-diméthoxyphényl)éthyl]-N-[3-({[{[2-(3,4-diméthoxyphényl)éthyl]imino}(hydroxy)méthyl]amino}méthyl)-3,5,5-triméthylcyclohexyl]carbamimidique [French] [ACD/IUPAC Name]
Methanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]imino]-1-[[3-[[[[[2-(3,4-dimethoxyphenyl)ethyl]imino]hydroxymethyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]- [ACD/Index Name]
N'-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-({[{[2-(3,4-dimethoxyphenyl)ethyl]imino}(hydroxy)methyl]amino}methyl)-3,5,5-trimethylcyclohexyl]carbamimidic acid [ACD/IUPAC Name]
N'-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-({[{[2-(3,4-dimethoxyphenyl)ethyl]imino}(hydroxy)methyl]amino}methyl)-3,5,5-trimethylcyclohexyl]carbamimidsäure [German] [ACD/IUPAC Name]
1-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3-[3-[[2-(3,4-DIMETHOXYPHENYL)ETHYLCARBAMOYLAMINO]METHYL]-3,5,5-TRIMETHYLCYCLOHEXYL]UREA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.3±35.7 °C
Index of Refraction: 1.553
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 16.59
ACD/KOC (pH 5.5): 50.07
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 17.21
ACD/KOC (pH 7.4): 51.94
Polar Surface Area: 126 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 505.3±7.0 cm3

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