ChemSpider 2D Image | (1R,2S,3R)-2-(2,5-Dimethoxy-4-methylphenyl)-3-methylcyclopropanamine | C13H19NO2

(1R,2S,3R)-2-(2,5-Dimethoxy-4-methylphenyl)-3-methylcyclopropanamine

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID30808743

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,3R)-2-(2,5-Dimethoxy-4-methylphenyl)-3-methylcyclopropanamin [German] [ACD/IUPAC Name]
(1R,2S,3R)-2-(2,5-Dimethoxy-4-methylphenyl)-3-methylcyclopropanamine [ACD/IUPAC Name]
(1R,2S,3R)-2-(2,5-Diméthoxy-4-méthylphényl)-3-méthylcyclopropanamine [French] [ACD/IUPAC Name]
Cyclopropanamine, 2-(2,5-dimethoxy-4-methylphenyl)-3-methyl-, (1R,2S,3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 323.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 163.1±35.2 °C
Index of Refraction: 1.531
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 38.17
Polar Surface Area: 44 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

Click to predict properties on the Chemicalize site


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