Found 124 results

Search term: MF = 'C_{28}H_{35}BrN_{2}O_{4}'
ChemSpider 2D Image | N-{2-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3,5-dimethyl-1-adamantanamine | C28H35BrN2O4

N-{2-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3,5-dimethyl-1-adamantanamine

  • Molecular FormulaC28H35BrN2O4
  • Average mass543.492 Da
  • Monoisotopic mass542.178040 Da
  • ChemSpider ID34007063

More details:

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

N-{2-Brom-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3,5-dimethyl-1-adamantanamin [German] [ACD/IUPAC Name]
N-{2-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3,5-dimethyl-1-adamantanamine [ACD/IUPAC Name]
N-{2-Bromo-5-éthoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3,5-diméthyl-1-adamantanamine [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-1-amine, N-[[2-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3,5-dimethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 166.16
ACD/KOC (pH 5.5): 187.85
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 2421.63
ACD/KOC (pH 7.4): 2737.73
Polar Surface Area: 76 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 398.5±5.0 cm3

Click to predict properties on the Chemicalize site


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