ChemSpider 2D Image | (2S)-1-(4-Methoxyphenyl)-2-butanamine | C11H17NO

(2S)-1-(4-Methoxyphenyl)-2-butanamine

  • Molecular FormulaC11H17NO
  • Average mass179.259 Da
  • Monoisotopic mass179.131012 Da
  • ChemSpider ID50687362

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Methoxyphenyl)-2-butanamin [German] [ACD/IUPAC Name]
(2S)-1-(4-Methoxyphenyl)-2-butanamine [ACD/IUPAC Name]
(2S)-1-(4-Méthoxyphényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-4-methoxy-, (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: 275.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 115.6±13.6 °C
Index of Refraction: 1.515
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 35 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 183.3±3.0 cm3

Click to predict properties on the Chemicalize site


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