ChemSpider 2D Image | 1-[3,4-Dimethoxy-5-(methoxymethyl)phenyl]-2-propanamine | C13H21NO3

1-[3,4-Dimethoxy-5-(methoxymethyl)phenyl]-2-propanamine

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID76373347

More details:






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

1-[3,4-Dimethoxy-5-(methoxymethyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[3,4-Dimethoxy-5-(methoxymethyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[3,4-Diméthoxy-5-(méthoxyméthyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,4-dimethoxy-5-(methoxymethyl)-α-methyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 324.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 146.0±20.2 °C
Index of Refraction: 1.508
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 230.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement