ChemSpider 2D Image | 1-{4-Bromo-2,5-bis[(~2~H_3_)methyloxy]phenyl}-2-propanamine | C11H10D6BrNO2

1-{4-Bromo-2,5-bis[(2H3)methyloxy]phenyl}-2-propanamine

  • Molecular FormulaC11H10D6BrNO2
  • Average mass280.191 Da
  • Monoisotopic mass279.074097 Da
  • ChemSpider ID48061800
  • Non-standard isotope - Non-standard isotope


More details:






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

1-{4-Brom-2,5-bis[(2H3)methyloxy]phenyl}-2-propanamin [German] [ACD/IUPAC Name]
1-{4-Bromo-2,5-bis[(2H3)methyloxy]phenyl}-2-propanamine [ACD/IUPAC Name]
1-{4-Bromo-2,5-bis[(2H3)méthyloxy]phényl}-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-bromo-α-methyl-2,5-bis(methyl-d3-oxy)- [ACD/Index Name]
1-[4-bromo-2,5-bis(trideuteriomethoxy)phenyl]propan-2-amine
1-{4-Bromo-2,5-bis[(2H3)methyloxy]phenyl}propan-2-amine
1021684-64-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 340.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.9±26.5 °C
Index of Refraction: 1.540
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.89
Polar Surface Area: 44 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 207.0±3.0 cm3

Click to predict properties on the Chemicalize site






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