ChemSpider 2D Image | (2S)-4-(1,3-Benzodioxol-5-yl)-2-butanamine | C11H15NO2

(2S)-4-(1,3-Benzodioxol-5-yl)-2-butanamine

  • Molecular FormulaC11H15NO2
  • Average mass193.242 Da
  • Monoisotopic mass193.110275 Da
  • ChemSpider ID65715562

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(1,3-Benzodioxol-5-yl)-2-butanamin [German] [ACD/IUPAC Name]
(2S)-4-(1,3-Benzodioxol-5-yl)-2-butanamine [ACD/IUPAC Name]
(2S)-4-(1,3-Benzodioxol-5-yl)-2-butanamine [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-propanamine, α-methyl-, (αS)- [ACD/Index Name]
(2S)-4-(1,3-dioxaindan-5-yl)butan-2-amine
(2S)-4-(2H-1,3-benzodioxol-5-yl)butan-2-amine
2227861-43-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 298.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 146.2±28.8 °C
Index of Refraction: 1.555
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 170.5±3.0 cm3

Click to predict properties on the Chemicalize site


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