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Search term: QLPHYDUVAFPRGJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-(4-Bromo-2,5-dimethoxyphenyl)methanamine | C9H12BrNO2

1-(4-Bromo-2,5-dimethoxyphenyl)methanamine

  • Molecular FormulaC9H12BrNO2
  • Average mass246.101 Da
  • Monoisotopic mass245.005127 Da
  • ChemSpider ID27750197

More details:






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

1-(4-Brom-2,5-dimethoxyphenyl)methanamin [German] [ACD/IUPAC Name]
1-(4-Bromo-2,5-dimethoxyphenyl)methanamine [ACD/IUPAC Name]
1-(4-Bromo-2,5-diméthoxyphényl)méthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 4-bromo-2,5-dimethoxy- [ACD/Index Name]
2,5-dimethoxy-4-bromobenzylamine
87896-56-8 [RN]
MFCD26596014

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

Density: 1.4±0.1 g/cm3
Boiling Point: 319.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 147.2±26.5 °C
Index of Refraction: 1.555
Molar Refractivity: 55.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.05
Polar Surface Area: 44 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 173.6±3.0 cm3

Click to predict properties on the Chemicalize site






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