Found 53 results

Search term: MF = 'C_{20}H_{24}BrClN_{2}O_{3}'
ChemSpider 2D Image | N-(2-Bromo-4,5-dimethoxybenzyl)-4-chloro-3-{[(3R)-1-methyl-3-pyrrolidinyl]oxy}aniline | C20H24BrClN2O3

N-(2-Bromo-4,5-dimethoxybenzyl)-4-chloro-3-{[(3R)-1-methyl-3-pyrrolidinyl]oxy}aniline

  • Molecular FormulaC20H24BrClN2O3
  • Average mass455.773 Da
  • Monoisotopic mass454.065887 Da
  • ChemSpider ID29404189

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenemethanamine, 2-bromo-N-[4-chloro-3-[[(3R)-1-methyl-3-pyrrolidinyl]oxy]phenyl]-4,5-dimethoxy- [ACD/Index Name]
N-(2-Brom-4,5-dimethoxybenzyl)-4-chlor-3-{[(3R)-1-methyl-3-pyrrolidinyl]oxy}anilin [German] [ACD/IUPAC Name]
N-(2-Bromo-4,5-dimethoxybenzyl)-4-chloro-3-{[(3R)-1-methyl-3-pyrrolidinyl]oxy}aniline [ACD/IUPAC Name]
N-(2-Bromo-4,5-diméthoxybenzyl)-4-chloro-3-{[(3R)-1-méthyl-3-pyrrolidinyl]oxy}aniline [French] [ACD/IUPAC 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: 549.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.1±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 7.32
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 43.99
ACD/KOC (pH 7.4): 197.19
Polar Surface Area: 43 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 325.6±3.0 cm3

Click to predict properties on the Chemicalize site


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