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Search term: XKUPANACGUXRCS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2S)-1-(1,3-Benzodioxol-5-yl)-2-propanyl]cyclopropanamine | C13H17NO2

N-[(2S)-1-(1,3-Benzodioxol-5-yl)-2-propanyl]cyclopropanamine

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID75142653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxole-5-ethanamine, N-cyclopropyl-α-methyl-, (αS)- [ACD/Index Name]
N-[(2S)-1-(1,3-Benzodioxol-5-yl)-2-propanyl]cyclopropanamin [German] [ACD/IUPAC Name]
N-[(2S)-1-(1,3-Benzodioxol-5-yl)-2-propanyl]cyclopropanamine [ACD/IUPAC Name]
N-[(2S)-1-(1,3-Benzodioxol-5-yl)-2-propanyl]cyclopropanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 334.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 135.3±8.7 °C
Index of Refraction: 1.575
Molar Refractivity: 62.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.19
Polar Surface Area: 30 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 188.1±5.0 cm3

Click to predict properties on the Chemicalize site


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