ChemSpider 2D Image | (2S)-1-[4-(Allyloxy)-3,5-dimethoxyphenyl]-2-propanamine | C14H21NO3

(2S)-1-[4-(Allyloxy)-3,5-dimethoxyphenyl]-2-propanamine

  • Molecular FormulaC14H21NO3
  • Average mass251.321 Da
  • Monoisotopic mass251.152145 Da
  • ChemSpider ID32801374

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[4-(Allyloxy)-3,5-dimethoxyphenyl]-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-[4-(Allyloxy)-3,5-dimethoxyphenyl]-2-propanamine [ACD/IUPAC Name]
(2S)-1-[4-(Allyloxy)-3,5-diméthoxyphényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,5-dimethoxy-α-methyl-4-(2-propen-1-yloxy)-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 357.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 170.1±20.2 °C
Index of Refraction: 1.513
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -1.27
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): 1.46
Polar Surface Area: 54 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 242.9±3.0 cm3

Click to predict properties on the Chemicalize site


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